1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide

C15H20N4O4S2 — CID 22203361

IUPAC1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cnn1C
InChIInChI=1S/C15H20N4O4S2/c1-12-15(11-16-18(12)2)24(20,21)17-13-5-7-14(8-6-13)25(22,23)19-9-3-4-10-19/h5-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyZFVKTYQMEYZHIN-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.31
Rot. Bonds5

About 1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide

1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide (PubChem CID 22203361) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide
PubChem CID22203361
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cnn1C
InChIInChI=1S/C15H20N4O4S2/c1-12-15(11-16-18(12)2)24(20,21)17-13-5-7-14(8-6-13)25(22,23)19-9-3-4-10-19/h5-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyZFVKTYQMEYZHIN-UHFFFAOYSA-N
XLogP1.31
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19684585
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 19684568
N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774219
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100506208
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 1274641
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775112
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683816
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 17301208

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide (CID 22203361) is 1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide?
The InChIKey is ZFVKTYQMEYZHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-12-15(11-16-18(12)2)24(20,21)17-13-5-7-14(8-6-13)25(22,23)19-9-3-4-10-19/h5-8,11,17H,3-4,9-10H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide?
1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide has a molecular weight of 384.48 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22203361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).