N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide

C16H15ClN2O2S2 — CID 113085492

IUPACN-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(c2c[nH]c3cc(Cl)ccc23)CC1)c1cccs1
InChIInChI=1S/C16H15ClN2O2S2/c17-11-3-4-12-13(9-18-14(12)8-11)16(5-6-16)10-19-23(20,21)15-2-1-7-22-15/h1-4,7-9,18-19H,5-6,10H2
InChIKeyJYCIEXYNHQWCJL-UHFFFAOYSA-N
MW366.90 g/mol
LogP3.89
Rot. Bonds5

About N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide

N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide (PubChem CID 113085492) has the molecular formula C16H15ClN2O2S2 and a molecular weight of 366.90 g/mol. Its IUPAC name is N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide
PubChem CID113085492
Molecular FormulaC16H15ClN2O2S2
Molecular Weight366.90 g/mol
Exact Mass366.03
IUPAC NameN-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(c2c[nH]c3cc(Cl)ccc23)CC1)c1cccs1
InChIInChI=1S/C16H15ClN2O2S2/c17-11-3-4-12-13(9-18-14(12)8-11)16(5-6-16)10-19-23(20,21)15-2-1-7-22-15/h1-4,7-9,18-19H,5-6,10H2
InChIKeyJYCIEXYNHQWCJL-UHFFFAOYSA-N
XLogP3.89
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide (CID 113085492) is N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1(c2c[nH]c3cc(Cl)ccc23)CC1)c1cccs1.
What is the InChIKey of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide?
The InChIKey is JYCIEXYNHQWCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S2/c17-11-3-4-12-13(9-18-14(12)8-11)16(5-6-16)10-19-23(20,21)15-2-1-7-22-15/h1-4,7-9,18-19H,5-6,10H2.
What are the key properties of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide?
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide has a molecular weight of 366.90 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113085492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).