8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide

C16H20ClNO2S — CID 25047106

IUPAC8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc2cccc(Cl)c12)C(C)(C)C
InChIInChI=1S/C16H20ClNO2S/c1-11(16(2,3)4)18-21(19,20)14-10-6-8-12-7-5-9-13(17)15(12)14/h5-11,18H,1-4H3/t11-/m1/s1
InChIKeyIOVCKSKYTXDEAW-LLVKDONJSA-N
MW325.86 g/mol
LogP4.21
Rot. Bonds3

About 8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide

8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide (PubChem CID 25047106) has the molecular formula C16H20ClNO2S and a molecular weight of 325.86 g/mol. Its IUPAC name is 8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide
PubChem CID25047106
Molecular FormulaC16H20ClNO2S
Molecular Weight325.86 g/mol
Exact Mass325.09
IUPAC Name8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc2cccc(Cl)c12)C(C)(C)C
InChIInChI=1S/C16H20ClNO2S/c1-11(16(2,3)4)18-21(19,20)14-10-6-8-12-7-5-9-13(17)15(12)14/h5-11,18H,1-4H3/t11-/m1/s1
InChIKeyIOVCKSKYTXDEAW-LLVKDONJSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide 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 8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide (CID 25047106) is 8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide is C[C@@H](NS(=O)(=O)c1cccc2cccc(Cl)c12)C(C)(C)C.
What is the InChIKey of 8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide?
The InChIKey is IOVCKSKYTXDEAW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20ClNO2S/c1-11(16(2,3)4)18-21(19,20)14-10-6-8-12-7-5-9-13(17)15(12)14/h5-11,18H,1-4H3/t11-/m1/s1.
What are the key properties of 8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide?
8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide has a molecular weight of 325.86 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 25047106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).