N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide

C15H24ClNO2S — CID 10381159

IUPACN-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(CCCCl)C(C)C)c(C)c1
InChIInChI=1S/C15H24ClNO2S/c1-11(2)17(8-6-7-16)20(18,19)15-13(4)9-12(3)10-14(15)5/h9-11H,6-8H2,1-5H3
InChIKeyQDUJZVSBIJDACT-UHFFFAOYSA-N
MW317.88 g/mol
LogP3.64
Rot. Bonds6

About N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide

N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 10381159) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide
PubChem CID10381159
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC NameN-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(CCCCl)C(C)C)c(C)c1
InChIInChI=1S/C15H24ClNO2S/c1-11(2)17(8-6-7-16)20(18,19)15-13(4)9-12(3)10-14(15)5/h9-11H,6-8H2,1-5H3
InChIKeyQDUJZVSBIJDACT-UHFFFAOYSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-2,4,5-trifluoro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 88683851
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzenesulfonamide
CID 23323135
2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 61039183
N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 63396974
N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326899
4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 79588513
N,N-dihexyl-2,4,6-trimethylbenzenesulfonamide
CID 19682365
N-(3-chloropropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
CID 63396675
N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107329442
2-[(2-methoxy-4,6-dimethylphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 120558104
[4-[[[(2S)-butan-2-yl]-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] methanesulfonate
CID 92913416
N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 61448329

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide (CID 10381159) is N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(CCCCl)C(C)C)c(C)c1.
What is the InChIKey of N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QDUJZVSBIJDACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2S/c1-11(2)17(8-6-7-16)20(18,19)15-13(4)9-12(3)10-14(15)5/h9-11H,6-8H2,1-5H3.
What are the key properties of N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide?
N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 317.88 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 10381159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).