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

C19H22N2O4S — CID 4808018

IUPACN-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O4S/c1-15-7-8-17(13-18(15)19(22)21-9-11-25-12-10-21)26(23,24)20-14-16-5-3-2-4-6-16/h2-8,13,20H,9-12,14H2,1H3
InChIKeyIBWZBBZCKQPVIY-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.95
Rot. Bonds5

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

N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 4808018) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID4808018
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O4S/c1-15-7-8-17(13-18(15)19(22)21-9-11-25-12-10-21)26(23,24)20-14-16-5-3-2-4-6-16/h2-8,13,20H,9-12,14H2,1H3
InChIKeyIBWZBBZCKQPVIY-UHFFFAOYSA-N
XLogP1.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride
CID 119375100
N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 31567043
N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide
CID 42997440
N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 55585013
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99957286
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6493048
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide
CID 55660200
N-benzyl-3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1007908
N-cyclopropyl-4-methyl-3-[4-(2-phenylethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55489639

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 4808018) is N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCOCC1.
What is the InChIKey of N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is IBWZBBZCKQPVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15-7-8-17(13-18(15)19(22)21-9-11-25-12-10-21)26(23,24)20-14-16-5-3-2-4-6-16/h2-8,13,20H,9-12,14H2,1H3.
What are the key properties of N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 4808018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).