2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C18H28ClN3O3S — CID 56510508

IUPAC2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CCN2CCCC2)c1
InChIInChI=1S/C18H28ClN3O3S/c1-14(2)21(4)26(24,25)15-7-8-17(19)16(13-15)18(23)20(3)11-12-22-9-5-6-10-22/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyBJQMEKOILAMFDW-UHFFFAOYSA-N
MW401.96 g/mol
LogP2.54
Rot. Bonds7

About 2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 56510508) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID56510508
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CCN2CCCC2)c1
InChIInChI=1S/C18H28ClN3O3S/c1-14(2)21(4)26(24,25)15-7-8-17(19)16(13-15)18(23)20(3)11-12-22-9-5-6-10-22/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyBJQMEKOILAMFDW-UHFFFAOYSA-N
XLogP2.54
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide 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

2-chloro-5-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 106501816
3-(azocane-1-carbonyl)-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 51145580
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78855605
4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 55331996
2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 9473189
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510388
ethyl 4-[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 36861151
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530
2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56509479
2-chloro-N-(3-hydroxypropyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78854298
2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46579609

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 56510508) is 2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CCN2CCCC2)c1.
What is the InChIKey of 2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is BJQMEKOILAMFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O3S/c1-14(2)21(4)26(24,25)15-7-8-17(19)16(13-15)18(23)20(3)11-12-22-9-5-6-10-22/h7-8,13-14H,5-6,9-12H2,1-4H3.
What are the key properties of 2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 401.96 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 56510508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).