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

C18H26N4O4S2 — CID 27526282

IUPAC1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(C)n1
InChIInChI=1S/C18H26N4O4S2/c1-4-21-13-18(15(3)19-21)27(23,24)20-16-7-9-17(10-8-16)28(25,26)22-11-5-6-14(2)12-22/h7-10,13-14,20H,4-6,11-12H2,1-3H3/t14-/m1/s1
InChIKeyQSTCNWLNDKTWEO-CQSZACIVSA-N
MW426.56 g/mol
LogP2.43
Rot. Bonds6

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

1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide (PubChem CID 27526282) has the molecular formula C18H26N4O4S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide
PubChem CID27526282
Molecular FormulaC18H26N4O4S2
Molecular Weight426.56 g/mol
Exact Mass426.14
IUPAC Name1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(C)n1
InChIInChI=1S/C18H26N4O4S2/c1-4-21-13-18(15(3)19-21)27(23,24)20-16-7-9-17(10-8-16)28(25,26)22-11-5-6-14(2)12-22/h7-10,13-14,20H,4-6,11-12H2,1-3H3/t14-/m1/s1
InChIKeyQSTCNWLNDKTWEO-CQSZACIVSA-N
XLogP2.43
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
CID 19684462
4-fluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide
CID 7343180
2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 24629185
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19683756
1-ethyl-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 22773189
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 17263026
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683690
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide (CID 27526282) is 1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide?
The InChIKey is QSTCNWLNDKTWEO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O4S2/c1-4-21-13-18(15(3)19-21)27(23,24)20-16-7-9-17(10-8-16)28(25,26)22-11-5-6-14(2)12-22/h7-10,13-14,20H,4-6,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide has a molecular weight of 426.56 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 27526282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).