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

C17H19ClN4O2S — CID 113085205

IUPACN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C17H19ClN4O2S/c1-10-16(11(2)22-21-10)25(23,24)20-9-17(5-6-17)14-8-19-15-4-3-12(18)7-13(14)15/h3-4,7-8,19-20H,5-6,9H2,1-2H3,(H,21,22)
InChIKeyNOPODXQDPPSPOL-UHFFFAOYSA-N
MW378.89 g/mol
LogP3.17
Rot. Bonds5

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

N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113085205) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113085205
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C17H19ClN4O2S/c1-10-16(11(2)22-21-10)25(23,24)20-9-17(5-6-17)14-8-19-15-4-3-12(18)7-13(14)15/h3-4,7-8,19-20H,5-6,9H2,1-2H3,(H,21,22)
InChIKeyNOPODXQDPPSPOL-UHFFFAOYSA-N
XLogP3.17
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide 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]-2-methylbenzenesulfonamide
CID 113085207
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 113085193
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113083900
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide
CID 113085126
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113090768
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide
CID 113085133
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085166
3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113084752
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide
CID 113085492
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide
CID 113085086
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113313701
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113085410

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113085205) is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is NOPODXQDPPSPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c1-10-16(11(2)22-21-10)25(23,24)20-9-17(5-6-17)14-8-19-15-4-3-12(18)7-13(14)15/h3-4,7-8,19-20H,5-6,9H2,1-2H3,(H,21,22).
What are the key properties of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 378.89 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113085205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).