5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide

C14H18ClNO3S — CID 7333036

IUPAC5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide
SMILESC#C[C@@](C)(CC)NS(=O)(=O)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C14H18ClNO3S/c1-6-14(4,7-2)16-20(17,18)13-9-11(15)10(3)8-12(13)19-5/h1,8-9,16H,7H2,2-5H3/t14-/m0/s1
InChIKeyAZJYGVSKLKRJIA-AWEZNQCLSA-N
MW315.82 g/mol
LogP2.74
Rot. Bonds5

About 5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide

5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide (PubChem CID 7333036) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide
PubChem CID7333036
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide
SMILESC#C[C@@](C)(CC)NS(=O)(=O)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C14H18ClNO3S/c1-6-14(4,7-2)16-20(17,18)13-9-11(15)10(3)8-12(13)19-5/h1,8-9,16H,7H2,2-5H3/t14-/m0/s1
InChIKeyAZJYGVSKLKRJIA-AWEZNQCLSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-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

5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771
N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide
CID 110757953
5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
CID 110757907
5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445
5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 66486115
5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 934502
4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47304384
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974809
5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
CID 15943823

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide (CID 7333036) is 5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide is C#C[C@@](C)(CC)NS(=O)(=O)c1cc(Cl)c(C)cc1OC.
What is the InChIKey of 5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide?
The InChIKey is AZJYGVSKLKRJIA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-6-14(4,7-2)16-20(17,18)13-9-11(15)10(3)8-12(13)19-5/h1,8-9,16H,7H2,2-5H3/t14-/m0/s1.
What are the key properties of 5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide?
5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide has a molecular weight of 315.82 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide is sourced from PubChem (CID 7333036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).