2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide

C14H19ClN2O3S — CID 103270424

IUPAC2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCCOCC(NS(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C
InChIInChI=1S/C14H19ClN2O3S/c1-4-20-9-13(10(2)3)17-21(18,19)14-7-11(8-16)5-6-12(14)15/h5-7,10,13,17H,4,9H2,1-3H3
InChIKeySMLRAQHCZJYJCX-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.55
Rot. Bonds7

About 2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide

2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 103270424) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID103270424
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCCOCC(NS(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C
InChIInChI=1S/C14H19ClN2O3S/c1-4-20-9-13(10(2)3)17-21(18,19)14-7-11(8-16)5-6-12(14)15/h5-7,10,13,17H,4,9H2,1-3H3
InChIKeySMLRAQHCZJYJCX-UHFFFAOYSA-N
XLogP2.55
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270415
2-chloro-5-cyano-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 80704766
2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868959
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-5-cyano-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 104918937
2-chloro-5-cyano-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 80704020
2-chloro-5-cyano-N-(2,3-dimethoxypropyl)benzenesulfonamide
CID 104919448
2-chloro-5-cyano-N-hex-1-yn-3-ylbenzenesulfonamide
CID 106898810
2-chloro-5-cyano-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 104918532
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 103988819
N-(2-amino-3-methylbutyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704916
2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide
CID 80704391

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide (CID 103270424) is 2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide is CCOCC(NS(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C.
What is the InChIKey of 2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is SMLRAQHCZJYJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-4-20-9-13(10(2)3)17-21(18,19)14-7-11(8-16)5-6-12(14)15/h5-7,10,13,17H,4,9H2,1-3H3.
What are the key properties of 2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide?
2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 103270424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).