N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide

C16H18ClNO2S — CID 767804

IUPACN-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO2S/c1-13(2)18(12-14-6-4-3-5-7-14)21(19,20)16-10-8-15(17)9-11-16/h3-11,13H,12H2,1-2H3
InChIKeyBBCVYLYMBIAWOE-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.94
Rot. Bonds5

About N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide

N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide (PubChem CID 767804) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide
PubChem CID767804
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO2S/c1-13(2)18(12-14-6-4-3-5-7-14)21(19,20)16-10-8-15(17)9-11-16/h3-11,13H,12H2,1-2H3
InChIKeyBBCVYLYMBIAWOE-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide (CID 767804) is N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is BBCVYLYMBIAWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-13(2)18(12-14-6-4-3-5-7-14)21(19,20)16-10-8-15(17)9-11-16/h3-11,13H,12H2,1-2H3.
What are the key properties of N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide?
N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 767804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).