1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide

C17H24N4O4S2 — CID 19684462

IUPAC1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cn1
InChIInChI=1S/C17H24N4O4S2/c1-3-20-13-17(11-18-20)26(22,23)19-15-6-8-16(9-7-15)27(24,25)21-10-4-5-14(2)12-21/h6-9,11,13-14,19H,3-5,10,12H2,1-2H3
InChIKeyBNSUQUKKDNUTQO-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.12
Rot. Bonds6

About 1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide

1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide (PubChem CID 19684462) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
PubChem CID19684462
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC Name1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cn1
InChIInChI=1S/C17H24N4O4S2/c1-3-20-13-17(11-18-20)26(22,23)19-15-6-8-16(9-7-15)27(24,25)21-10-4-5-14(2)12-21/h6-9,11,13-14,19H,3-5,10,12H2,1-2H3
InChIKeyBNSUQUKKDNUTQO-UHFFFAOYSA-N
XLogP2.12
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 17263026
1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide
CID 27526282
1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
CID 19684559
4-fluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide
CID 7343180
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510995
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 24629185
1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide
CID 17312255

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide (CID 19684462) is 1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cn1.
What is the InChIKey of 1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide?
The InChIKey is BNSUQUKKDNUTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c1-3-20-13-17(11-18-20)26(22,23)19-15-6-8-16(9-7-15)27(24,25)21-10-4-5-14(2)12-21/h6-9,11,13-14,19H,3-5,10,12H2,1-2H3.
What are the key properties of 1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide?
1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide has a molecular weight of 412.54 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19684462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).