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

C14H22ClNO2S — CID 118185549

IUPACN-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCc1c(C(C)C)ccc(S(=O)(=O)NC(C)(C)C)c1Cl
InChIInChI=1S/C14H22ClNO2S/c1-9(2)11-7-8-12(13(15)10(11)3)19(17,18)16-14(4,5)6/h7-9,16H,1-6H3
InChIKeyKEUUATCXBIKKBO-UHFFFAOYSA-N
MW303.86 g/mol
LogP3.85
Rot. Bonds3

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

N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide (PubChem CID 118185549) has the molecular formula C14H22ClNO2S and a molecular weight of 303.86 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide
PubChem CID118185549
Molecular FormulaC14H22ClNO2S
Molecular Weight303.86 g/mol
Exact Mass303.11
IUPAC NameN-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCc1c(C(C)C)ccc(S(=O)(=O)NC(C)(C)C)c1Cl
InChIInChI=1S/C14H22ClNO2S/c1-9(2)11-7-8-12(13(15)10(11)3)19(17,18)16-14(4,5)6/h7-9,16H,1-6H3
InChIKeyKEUUATCXBIKKBO-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide (CID 118185549) is N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide is Cc1c(C(C)C)ccc(S(=O)(=O)NC(C)(C)C)c1Cl.
What is the InChIKey of N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide?
The InChIKey is KEUUATCXBIKKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-9(2)11-7-8-12(13(15)10(11)3)19(17,18)16-14(4,5)6/h7-9,16H,1-6H3.
What are the key properties of N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide?
N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide has a molecular weight of 303.86 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 118185549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).