4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide

C19H21ClN2O6S2 — CID 24575619

IUPAC4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
SMILESCC1CN(C(=O)c2cc(S(=O)(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc2Cl)CCO1
InChIInChI=1S/C19H21ClN2O6S2/c1-13-12-22(9-10-28-13)19(23)17-11-16(7-8-18(17)20)30(26,27)21-14-3-5-15(6-4-14)29(2,24)25/h3-8,11,13,21H,9-10,12H2,1-2H3
InChIKeyAPRLOZJXCUPPKG-UHFFFAOYSA-N
MW472.97 g/mol
LogP2.41
Rot. Bonds5

About 4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide

4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide (PubChem CID 24575619) has the molecular formula C19H21ClN2O6S2 and a molecular weight of 472.97 g/mol. Its IUPAC name is 4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
PubChem CID24575619
Molecular FormulaC19H21ClN2O6S2
Molecular Weight472.97 g/mol
Exact Mass472.05
IUPAC Name4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
SMILESCC1CN(C(=O)c2cc(S(=O)(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc2Cl)CCO1
InChIInChI=1S/C19H21ClN2O6S2/c1-13-12-22(9-10-28-13)19(23)17-11-16(7-8-18(17)20)30(26,27)21-14-3-5-15(6-4-14)29(2,24)25/h3-8,11,13,21H,9-10,12H2,1-2H3
InChIKeyAPRLOZJXCUPPKG-UHFFFAOYSA-N
XLogP2.41
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
CID 47198060
4-chloro-3-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 43005311
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258307
N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
CID 94538564
N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46674476
4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 34281083
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
(2R)-N-(4-chloro-3-methylsulfonylphenyl)-2-methyl-1,4-oxazepane-4-carboxamide
CID 124621858
3-(azepane-1-carbonyl)-4-chloro-N-(4-fluorophenyl)benzenesulfonamide
CID 31619015
2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide
CID 43016627

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide (CID 24575619) is 4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide is CC1CN(C(=O)c2cc(S(=O)(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc2Cl)CCO1.
What is the InChIKey of 4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide?
The InChIKey is APRLOZJXCUPPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O6S2/c1-13-12-22(9-10-28-13)19(23)17-11-16(7-8-18(17)20)30(26,27)21-14-3-5-15(6-4-14)29(2,24)25/h3-8,11,13,21H,9-10,12H2,1-2H3.
What are the key properties of 4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide?
4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide has a molecular weight of 472.97 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 24575619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).