4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide

C18H17ClN2O2S — CID 138992000

IUPAC4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1c[nH]c2ccccc12)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2S/c19-13-7-9-14(10-8-13)24(22,23)21-18(12-5-6-12)16-11-20-17-4-2-1-3-15(16)17/h1-4,7-12,18,20-21H,5-6H2
InChIKeyLGIKPXRQJJCXRY-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.25
Rot. Bonds5

About 4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide

4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide (PubChem CID 138992000) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide
PubChem CID138992000
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1c[nH]c2ccccc12)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2S/c19-13-7-9-14(10-8-13)24(22,23)21-18(12-5-6-12)16-11-20-17-4-2-1-3-15(16)17/h1-4,7-12,18,20-21H,5-6H2
InChIKeyLGIKPXRQJJCXRY-UHFFFAOYSA-N
XLogP4.25
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide (CID 138992000) is 4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide is O=S(=O)(NC(c1c[nH]c2ccccc12)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide?
The InChIKey is LGIKPXRQJJCXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c19-13-7-9-14(10-8-13)24(22,23)21-18(12-5-6-12)16-11-20-17-4-2-1-3-15(16)17/h1-4,7-12,18,20-21H,5-6H2.
What are the key properties of 4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide?
4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide has a molecular weight of 360.87 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 138992000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).