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

C18H16Cl2N2O2S — CID 113084752

IUPAC3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2O2S/c19-15-6-5-12(9-16(15)20)25(23,24)22-11-18(7-8-18)14-10-21-17-4-2-1-3-13(14)17/h1-6,9-10,21-22H,7-8,11H2
InChIKeyOUTZMWVTNLJESI-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.48
Rot. Bonds5

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

3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide (PubChem CID 113084752) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
PubChem CID113084752
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC Name3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2O2S/c19-15-6-5-12(9-16(15)20)25(23,24)22-11-18(7-8-18)14-10-21-17-4-2-1-3-13(14)17/h1-6,9-10,21-22H,7-8,11H2
InChIKeyOUTZMWVTNLJESI-UHFFFAOYSA-N
XLogP4.48
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 113085193
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113084771
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085207
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 113085392
4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113085390
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide
CID 113085492
3,4-dichloro-N-[[1-(chloromethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115456637
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113083568
4-ethyl-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113085291
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113085205
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085412
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113085496

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide (CID 113084752) is 3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide is O=S(=O)(NCC1(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide?
The InChIKey is OUTZMWVTNLJESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c19-15-6-5-12(9-16(15)20)25(23,24)22-11-18(7-8-18)14-10-21-17-4-2-1-3-13(14)17/h1-6,9-10,21-22H,7-8,11H2.
What are the key properties of 3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide?
3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide has a molecular weight of 395.31 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide is sourced from PubChem (CID 113084752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).