N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide

C19H28ClN3O6S2 — CID 55674304

IUPACN-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C19H28ClN3O6S2/c1-2-13-30(25,26)21-16-5-7-22(8-6-16)19(24)15-3-4-17(20)18(14-15)31(27,28)23-9-11-29-12-10-23/h3-4,14,16,21H,2,5-13H2,1H3
InChIKeyVCJXXLRPMRBKCD-UHFFFAOYSA-N
MW494.04 g/mol
LogP1.29
Rot. Bonds7

About N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 55674304) has the molecular formula C19H28ClN3O6S2 and a molecular weight of 494.04 g/mol. Its IUPAC name is N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID55674304
Molecular FormulaC19H28ClN3O6S2
Molecular Weight494.04 g/mol
Exact Mass493.11
IUPAC NameN-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C19H28ClN3O6S2/c1-2-13-30(25,26)21-16-5-7-22(8-6-16)19(24)15-3-4-17(20)18(14-15)31(27,28)23-9-11-29-12-10-23/h3-4,14,16,21H,2,5-13H2,1H3
InChIKeyVCJXXLRPMRBKCD-UHFFFAOYSA-N
XLogP1.29
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 108563505
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 7719605
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 52539969
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681
cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 56512642
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2207423
1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile
CID 49064589

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide (CID 55674304) is N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1.
What is the InChIKey of N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is VCJXXLRPMRBKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O6S2/c1-2-13-30(25,26)21-16-5-7-22(8-6-16)19(24)15-3-4-17(20)18(14-15)31(27,28)23-9-11-29-12-10-23/h3-4,14,16,21H,2,5-13H2,1H3.
What are the key properties of N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 494.04 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 55674304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).