5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide

C16H19ClN4O2S — CID 5004905

IUPAC5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1ccc2[nH]cc(CCNS(=O)(=O)c3c(C)nn(C)c3Cl)c2c1
InChIInChI=1S/C16H19ClN4O2S/c1-10-4-5-14-13(8-10)12(9-18-14)6-7-19-24(22,23)15-11(2)20-21(3)16(15)17/h4-5,8-9,18-19H,6-7H2,1-3H3
InChIKeyRSEIJHRJHZAWMH-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.69
Rot. Bonds5

About 5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide

5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 5004905) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID5004905
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1ccc2[nH]cc(CCNS(=O)(=O)c3c(C)nn(C)c3Cl)c2c1
InChIInChI=1S/C16H19ClN4O2S/c1-10-4-5-14-13(8-10)12(9-18-14)6-7-19-24(22,23)15-11(2)20-21(3)16(15)17/h4-5,8-9,18-19H,6-7H2,1-3H3
InChIKeyRSEIJHRJHZAWMH-UHFFFAOYSA-N
XLogP2.69
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113083697
2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3776949
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3326283
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113083900
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
N-butyl-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3765982
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
2-(5-chloro-1H-indol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 19624880
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113083568
3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520
N-[(3-bromophenyl)methyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 25038613

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide (CID 5004905) is 5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide is Cc1ccc2[nH]cc(CCNS(=O)(=O)c3c(C)nn(C)c3Cl)c2c1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is RSEIJHRJHZAWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-10-4-5-14-13(8-10)12(9-18-14)6-7-19-24(22,23)15-11(2)20-21(3)16(15)17/h4-5,8-9,18-19H,6-7H2,1-3H3.
What are the key properties of 5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide?
5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 366.87 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 5004905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).