N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide

C22H28N2O2S — CID 71050438

IUPACN-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(CN2CCCC2)cc1)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C22H28N2O2S/c25-27(26,22-12-10-20(11-13-22)16-23-14-4-5-15-23)24(18-21-8-9-21)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,21H,4-5,8-9,14-18H2
InChIKeyCEZHOILMUBPZNG-UHFFFAOYSA-N
MW384.54 g/mol
LogP3.88
Rot. Bonds8

About N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide

N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide (PubChem CID 71050438) has the molecular formula C22H28N2O2S and a molecular weight of 384.54 g/mol. Its IUPAC name is N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
PubChem CID71050438
Molecular FormulaC22H28N2O2S
Molecular Weight384.54 g/mol
Exact Mass384.19
IUPAC NameN-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(CN2CCCC2)cc1)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C22H28N2O2S/c25-27(26,22-12-10-20(11-13-22)16-23-14-4-5-15-23)24(18-21-8-9-21)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,21H,4-5,8-9,14-18H2
InChIKeyCEZHOILMUBPZNG-UHFFFAOYSA-N
XLogP3.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)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-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826270
4-[[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]methyl]-N-oxidocyclohexane-1-carboxamide
CID 20967363
N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
CID 59826139
N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide
CID 86841877
N-benzyl-N-methyl-4-[(4-methylsulfonylpiperidin-1-yl)methyl]benzenesulfonamide
CID 59826023
N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide
CID 51353133
N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 71050440
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-(2-fluoroethyl)-4-methylbenzenesulfonamide
CID 14307755
N-benzyl-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 3517149
N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
CID 10184484
N-benzyl-4-chloro-N-[[4-(3-cyclopropylpropanoyl)phenyl]methyl]benzenesulfonamide
CID 58129138
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[(4-bromophenyl)methyl]benzenesulfonamide
CID 3355285

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide (CID 71050438) is N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(CN2CCCC2)cc1)N(Cc1ccccc1)CC1CC1.
What is the InChIKey of N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide?
The InChIKey is CEZHOILMUBPZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c25-27(26,22-12-10-20(11-13-22)16-23-14-4-5-15-23)24(18-21-8-9-21)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,21H,4-5,8-9,14-18H2.
What are the key properties of N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide?
N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide has a molecular weight of 384.54 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 71050438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).