N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C19H21ClN2O5S — CID 1239009

IUPACN-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C19H21ClN2O5S/c1-26-18-8-7-15(13-17(18)20)22(14-19(23)21-9-11-27-12-10-21)28(24,25)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyWKKUVBDFBNANDS-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.40
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 1239009) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID1239009
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C19H21ClN2O5S/c1-26-18-8-7-15(13-17(18)20)22(14-19(23)21-9-11-27-12-10-21)28(24,25)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyWKKUVBDFBNANDS-UHFFFAOYSA-N
XLogP2.40
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1108098
N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1100086
N-(3-chloro-4-methoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 28589502
N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 2991987
N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 51345243
N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 999403
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
CID 1372382
N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 113172652
N-(3-chloro-4-methoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 4310490
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 43900921
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide
CID 3111589

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 1239009) is N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is WKKUVBDFBNANDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-26-18-8-7-15(13-17(18)20)22(14-19(23)21-9-11-27-12-10-21)28(24,25)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 424.91 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 1239009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).