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

C15H17ClN4O2S — CID 3507637

IUPAC5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H17ClN4O2S/c1-10-14(15(16)20(2)19-10)23(21,22)18-8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9,17-18H,7-8H2,1-2H3
InChIKeyAXDNJTAVFRBMRZ-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.38
Rot. Bonds5

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

5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 3507637) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID3507637
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H17ClN4O2S/c1-10-14(15(16)20(2)19-10)23(21,22)18-8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9,17-18H,7-8H2,1-2H3
InChIKeyAXDNJTAVFRBMRZ-UHFFFAOYSA-N
XLogP2.38
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11200511
3-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11384146
3-chloro-N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11463428
N-(1-(1H-indol-3-yl)propan-2-yl)-2,6-dichlorobenzenesulfonamide
CID 10091351
2-chloro-N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11223004
3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11338273
2-chloro-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11429601
4-chloro-N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11440676
3-chloro-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11441064
5-[1-(4-Chloro-benzenesulfonyl)-1,2,3,6-tetrahydro-pyridin-4-yl]-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole
CID 44376492
1-(3-Chloro-benzenesulfonyl)-3-(S)-1-pyrrolidin-2-ylmethyl-1H-indole
CID 44403053
1-(4-Chloro-benzenesulfonyl)-3-(S)-1-pyrrolidin-2-ylmethyl-1H-indole
CID 44403056

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 3507637) is 5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is AXDNJTAVFRBMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-10-14(15(16)20(2)19-10)23(21,22)18-8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9,17-18H,7-8H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 352.85 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 3507637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).