N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide

C11H16ClNO2S — CID 65031366

IUPACN-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CCl)c(C)c1
InChIInChI=1S/C11H16ClNO2S/c1-8-4-5-11(9(2)6-8)16(14,15)13-10(3)7-12/h4-6,10,13H,7H2,1-3H3
InChIKeyBMMOEAJBVLFVQC-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.21
Rot. Bonds4

About N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide

N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide (PubChem CID 65031366) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide
PubChem CID65031366
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CCl)c(C)c1
InChIInChI=1S/C11H16ClNO2S/c1-8-4-5-11(9(2)6-8)16(14,15)13-10(3)7-12/h4-6,10,13H,7H2,1-3H3
InChIKeyBMMOEAJBVLFVQC-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloro-3-methylbutan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 79268006
N-(1-chlorobutan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65033438
3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934654
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119983252
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide
CID 84843581
N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
CID 47142063
N-(1-chloropropan-2-yl)-5-cyano-2-methylbenzenesulfonamide
CID 106442039
N-[1-(3-methoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 86943041
N-(4-aminobutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 55033374
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide (CID 65031366) is N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)CCl)c(C)c1.
What is the InChIKey of N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is BMMOEAJBVLFVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-8-4-5-11(9(2)6-8)16(14,15)13-10(3)7-12/h4-6,10,13H,7H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide?
N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 261.77 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 65031366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).