4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride

C43H64Cl2N8O12S3 — CID 159866529

IUPAC4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)Cl)cc1.CC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NCCO3)cc1.CCNc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1.Cl.NCCO.O=C1CCNCC1
InChIInChI=1S/C15H21N3O4S.C13H18N2O3S.C8H8ClNO3S.C5H9NO.C2H7NO.ClH/c1-12(19)17-13-2-4-14(5-3-13)23(20,21)18-9-6-15(7-10-18)16-8-11-22-15;1-2-14-11-3-5-13(6-4-11)19(17,18)15-9-7-12(16)8-10-15;1-6(11)10-7-2-4-8(5-3-7)14(9,12)13;7-5-1-3-6-4-2-5;3-1-2-4;/h2-5,16H,6-11H2,1H3,(H,17,19);3-6,14H,2,7-10H2,1H3;2-5H,1H3,(H,10,11);6H,1-4H2;4H,1-3H2;1H
InChIKeyAMHOOPGLXWWJLJ-UHFFFAOYSA-N
MW1052.14 g/mol
LogP3.09
Rot. Bonds10

About 4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride

4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride (PubChem CID 159866529) has the molecular formula C43H64Cl2N8O12S3 and a molecular weight of 1052.14 g/mol. Its IUPAC name is 4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride.

Molecular Properties

Compound Name4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride
PubChem CID159866529
Molecular FormulaC43H64Cl2N8O12S3
Molecular Weight1052.14 g/mol
Exact Mass1050.32
IUPAC Name4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)Cl)cc1.CC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NCCO3)cc1.CCNc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1.Cl.NCCO.O=C1CCNCC1
InChIInChI=1S/C15H21N3O4S.C13H18N2O3S.C8H8ClNO3S.C5H9NO.C2H7NO.ClH/c1-12(19)17-13-2-4-14(5-3-13)23(20,21)18-9-6-15(7-10-18)16-8-11-22-15;1-2-14-11-3-5-13(6-4-11)19(17,18)15-9-7-12(16)8-10-15;1-6(11)10-7-2-4-8(5-3-7)14(9,12)13;7-5-1-3-6-4-2-5;3-1-2-4;/h2-5,16H,6-11H2,1H3,(H,17,19);3-6,14H,2,7-10H2,1H3;2-5H,1H3,(H,10,11);6H,1-4H2;4H,1-3H2;1H
InChIKeyAMHOOPGLXWWJLJ-UHFFFAOYSA-N
XLogP3.09
TPSA292.81 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001052.14
LogP ≤ 53.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride with MolForge

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Related Compounds

4,8-bis[(4-propan-2-ylphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane;hepta-1,3,5-triyne;piperidin-4-one;bis(4-propan-2-ylbenzenesulfonyl chloride);8-(4-propan-2-ylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one;hydrochloride
CID 157106164
8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 59565094
N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide
CID 27396707
N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 63162308
1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol
CID 107408422
N-[4-[[5-[(4-fluorophenyl)methylamino]-1,4,9-triazaspiro[5.5]undec-4-en-9-yl]sulfonyl]phenyl]acetamide;hydrochloride
CID 146063082
N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide
CID 20954810
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 62144052
N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 59772975
N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 81214143

Frequently Asked Questions

What is the IUPAC name of 4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride?
The IUPAC name of 4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride (CID 159866529) is 4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride.
What is the SMILES notation for 4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride?
The canonical SMILES for 4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1.CC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NCCO3)cc1.CCNc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1.Cl.NCCO.O=C1CCNCC1.
What is the InChIKey of 4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride?
The InChIKey is AMHOOPGLXWWJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S.C13H18N2O3S.C8H8ClNO3S.C5H9NO.C2H7NO.ClH/c1-12(19)17-13-2-4-14(5-3-13)23(20,21)18-9-6-15(7-10-18)16-8-11-22-15;1-2-14-11-3-5-13(6-4-11)19(17,18)15-9-7-12(16)8-10-15;1-6(11)10-7-2-4-8(5-3-7)14(9,12)13;7-5-1-3-6-4-2-5;3-1-2-4;/h2-5,16H,6-11H2,1H3,(H,17,19);3-6,14H,2,7-10H2,1H3;2-5H,1H3,(H,10,11);6H,1-4H2;4H,1-3H2;1H.
What are the key properties of 4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride?
4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride has a molecular weight of 1052.14 g/mol, XLogP of 3.09, 10 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride is sourced from PubChem (CID 159866529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).