N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide

C18H21ClN2O4S — CID 110362802

IUPACN-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(N3CCOCC3)ccc2Cl)cc1C
InChIInChI=1S/C18H21ClN2O4S/c1-13-11-15(4-6-18(13)24-2)26(22,23)20-17-12-14(3-5-16(17)19)21-7-9-25-10-8-21/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyKHUCJYXGKUAOIJ-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.29
Rot. Bonds5

About N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide

N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 110362802) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID110362802
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(N3CCOCC3)ccc2Cl)cc1C
InChIInChI=1S/C18H21ClN2O4S/c1-13-11-15(4-6-18(13)24-2)26(22,23)20-17-12-14(3-5-16(17)19)21-7-9-25-10-8-21/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyKHUCJYXGKUAOIJ-UHFFFAOYSA-N
XLogP3.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 110362804
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395
N-(2-chloro-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362791
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359854
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 110359825
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 5162311
3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 110613237
4-methoxy-3-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122355002
3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 100520095

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide (CID 110362802) is N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(N3CCOCC3)ccc2Cl)cc1C.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is KHUCJYXGKUAOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13-11-15(4-6-18(13)24-2)26(22,23)20-17-12-14(3-5-16(17)19)21-7-9-25-10-8-21/h3-6,11-12,20H,7-10H2,1-2H3.
What are the key properties of N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 396.90 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 110362802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).