N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide

C19H21ClN2O4S — CID 9117697

IUPACN-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21ClN2O4S/c1-21(14-15-5-3-2-4-6-15)27(24,25)16-7-8-18(20)17(13-16)19(23)22-9-11-26-12-10-22/h2-8,13H,9-12,14H2,1H3
InChIKeyDGCBELOLRTYNEV-UHFFFAOYSA-N
MW408.91 g/mol
LogP2.63
Rot. Bonds5

About N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide

N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 9117697) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID9117697
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21ClN2O4S/c1-21(14-15-5-3-2-4-6-15)27(24,25)16-7-8-18(20)17(13-16)19(23)22-9-11-26-12-10-22/h2-8,13H,9-12,14H2,1H3
InChIKeyDGCBELOLRTYNEV-UHFFFAOYSA-N
XLogP2.63
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Isomerase, glucose
CID 1151718
2,4-Dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 60635890
4-[4-(2-Chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide
CID 155937511
2,5-dimethyl-N-[4-(4-morpholinylcarbonyl)benzyl]benzenesulfonamide
CID 984387
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2354229
(2-Chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 4091740
[4-Chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone
CID 4877373
3-chloro-N-(4-((2R,6S)-2,6-dimethylmorpholine-4-carbonyl)benzyl)benzenesulfonamide
CID 984483
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 16385430
2-Chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide
CID 126507944
[4-Chloro-3-(morpholine-4-sulfonyl)-phenyl]-(4-ethyl-piperazin-1-yl)-methanone
CID 1022001
4-chloro-N-[2-(1-cyclohexen-1-yl)ethyl]-3-(4-morpholinylsulfonyl)benzamide
CID 1092707

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 9117697) is N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is DGCBELOLRTYNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-21(14-15-5-3-2-4-6-15)27(24,25)16-7-8-18(20)17(13-16)19(23)22-9-11-26-12-10-22/h2-8,13H,9-12,14H2,1H3.
What are the key properties of N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 408.91 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 9117697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).