N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide

C16H18ClNO4S2 — CID 67972113

IUPACN-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H18ClNO4S2/c1-11(2)12-4-7-14(8-5-12)24(21,22)18-15-10-13(17)6-9-16(15)23(3,19)20/h4-11,18H,1-3H3
InChIKeyNAQLSWOBGLTITE-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.67
Rot. Bonds5

About N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide

N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 67972113) has the molecular formula C16H18ClNO4S2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID67972113
Molecular FormulaC16H18ClNO4S2
Molecular Weight387.91 g/mol
Exact Mass387.04
IUPAC NameN-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H18ClNO4S2/c1-11(2)12-4-7-14(8-5-12)24(21,22)18-15-10-13(17)6-9-16(15)23(3,19)20/h4-11,18H,1-3H3
InChIKeyNAQLSWOBGLTITE-UHFFFAOYSA-N
XLogP3.67
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81280802
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
CID 60579391
4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22201407
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 22201773
N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 134040610
N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 102976182
N-(5-chloro-2-methylsulfonylphenyl)acetamide
CID 67747671

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide (CID 67972113) is N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2S(C)(=O)=O)cc1.
What is the InChIKey of N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is NAQLSWOBGLTITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S2/c1-11(2)12-4-7-14(8-5-12)24(21,22)18-15-10-13(17)6-9-16(15)23(3,19)20/h4-11,18H,1-3H3.
What are the key properties of N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide?
N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 387.91 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 67972113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).