4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide

C10H14ClNO2S — CID 39845241

IUPAC4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C10H14ClNO2S/c1-7(2)12-15(13,14)9-4-5-10(11)8(3)6-9/h4-7,12H,1-3H3
InChIKeyDQYOLWMYKWSDQG-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.34
Rot. Bonds3

About 4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide

4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 39845241) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID39845241
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C10H14ClNO2S/c1-7(2)12-15(13,14)9-4-5-10(11)8(3)6-9/h4-7,12H,1-3H3
InChIKeyDQYOLWMYKWSDQG-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
4-chloro-3-methylbenzenesulfonohydrazide
CID 82079936
4-chloro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 113098372
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
1-(4-chloro-3-methylphenyl)sulfonylethanamine
CID 117036191
4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023662

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide (CID 39845241) is 4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is DQYOLWMYKWSDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-7(2)12-15(13,14)9-4-5-10(11)8(3)6-9/h4-7,12H,1-3H3.
What are the key properties of 4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide?
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 39845241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).