4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

C19H21ClN2O3S — CID 53278707

IUPAC4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCN(Cc1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-21(26(24,25)18-10-8-17(20)9-11-18)14-15-4-6-16(7-5-15)19(23)22-12-2-3-13-22/h4-11H,2-3,12-14H2,1H3
InChIKeyRGCOLVFJDDOOMR-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.40
Rot. Bonds5

About 4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 53278707) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID53278707
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCN(Cc1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-21(26(24,25)18-10-8-17(20)9-11-18)14-15-4-6-16(7-5-15)19(23)22-12-2-3-13-22/h4-11H,2-3,12-14H2,1H3
InChIKeyRGCOLVFJDDOOMR-UHFFFAOYSA-N
XLogP3.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
CID 16662252
N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278764
N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
methyl 4-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]benzoate
CID 26057385
N-benzyl-4-chloro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 112759604
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 38180894
4-chloro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 18096934
4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide
CID 54037896
4-chloro-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 125043116
N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 1100955

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 53278707) is 4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is CN(Cc1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is RGCOLVFJDDOOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-21(26(24,25)18-10-8-17(20)9-11-18)14-15-4-6-16(7-5-15)19(23)22-12-2-3-13-22/h4-11H,2-3,12-14H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 53278707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).