2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

C19H20Cl2N2O4S — CID 24663268

IUPAC2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C19H20Cl2N2O4S/c1-12-11-15(20)13(2)18(17(12)21)28(25,26)22-16-6-4-3-5-14(16)19(24)23-7-9-27-10-8-23/h3-6,11,22H,7-10H2,1-2H3
InChIKeySMSJICHHDZTHLE-UHFFFAOYSA-N
MW443.35 g/mol
LogP3.88
Rot. Bonds4

About 2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 24663268) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is 2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID24663268
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC Name2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C19H20Cl2N2O4S/c1-12-11-15(20)13(2)18(17(12)21)28(25,26)22-16-6-4-3-5-14(16)19(24)23-7-9-27-10-8-23/h3-6,11,22H,7-10H2,1-2H3
InChIKeySMSJICHHDZTHLE-UHFFFAOYSA-N
XLogP3.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 31813143
2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235
4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663261
1-(3,4-dichlorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 134052293
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 1289241
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
(2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 16531806
4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258307
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 24663268) is 2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)c1Cl.
What is the InChIKey of 2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is SMSJICHHDZTHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c1-12-11-15(20)13(2)18(17(12)21)28(25,26)22-16-6-4-3-5-14(16)19(24)23-7-9-27-10-8-23/h3-6,11,22H,7-10H2,1-2H3.
What are the key properties of 2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 443.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24663268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).