N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide

C17H14ClNO4S — CID 10981354

IUPACN-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide
SMILESCOc1cc2c(cc1NS(C)(=O)=O)C(c1ccc(Cl)cc1)=CC2=O
InChIInChI=1S/C17H14ClNO4S/c1-23-17-9-14-13(7-15(17)19-24(2,21)22)12(8-16(14)20)10-3-5-11(18)6-4-10/h3-9,19H,1-2H3
InChIKeyYJWHYRXEVSZSQU-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.35
Rot. Bonds4

About N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide

N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide (PubChem CID 10981354) has the molecular formula C17H14ClNO4S and a molecular weight of 363.82 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide
PubChem CID10981354
Molecular FormulaC17H14ClNO4S
Molecular Weight363.82 g/mol
Exact Mass363.03
IUPAC NameN-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide
SMILESCOc1cc2c(cc1NS(C)(=O)=O)C(c1ccc(Cl)cc1)=CC2=O
InChIInChI=1S/C17H14ClNO4S/c1-23-17-9-14-13(7-15(17)19-24(2,21)22)12(8-16(14)20)10-3-5-11(18)6-4-10/h3-9,19H,1-2H3
InChIKeyYJWHYRXEVSZSQU-UHFFFAOYSA-N
XLogP3.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide
CID 57266401
N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
CID 22434010
N-(5-chloro-2-methoxyphenyl)sulfamoyl chloride
CID 84760623
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
2,4-dichloro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37258917
N-[3-(4-chloro-3-fluorophenyl)-4-methoxyphenyl]methanesulfonamide
CID 68620057
N-[2-(4-methoxyphenyl)phenyl]methanesulfonamide
CID 23508536
4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide
CID 55828058
2-(2,4-dichlorophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
CID 37259252
N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide
CID 58029497
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide (CID 10981354) is N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide is COc1cc2c(cc1NS(C)(=O)=O)C(c1ccc(Cl)cc1)=CC2=O.
What is the InChIKey of N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide?
The InChIKey is YJWHYRXEVSZSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4S/c1-23-17-9-14-13(7-15(17)19-24(2,21)22)12(8-16(14)20)10-3-5-11(18)6-4-10/h3-9,19H,1-2H3.
What are the key properties of N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide?
N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide has a molecular weight of 363.82 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10981354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).