3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide

C12H18ClNO3S — CID 110758505

IUPAC3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(Cl)c(C)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C12H18ClNO3S/c1-7(2)14-18(15,16)12-9(4)11(13)8(3)6-10(12)17-5/h6-7,14H,1-5H3
InChIKeyPJXYSZXWZGURGP-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.65
Rot. Bonds4

About 3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide

3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 110758505) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide
PubChem CID110758505
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Name3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(Cl)c(C)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C12H18ClNO3S/c1-7(2)14-18(15,16)12-9(4)11(13)8(3)6-10(12)17-5/h6-7,14H,1-5H3
InChIKeyPJXYSZXWZGURGP-UHFFFAOYSA-N
XLogP2.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide
CID 1288488
2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
CID 115152223
3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 66486092
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 93488180
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
CID 116843880
(2S)-2-[(2-methoxy-4,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 98026813
N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 110789568
(2R)-2-[(2-methoxy-4,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 98026814
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82300220
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea
CID 110775927
diethyl 2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]propanedioate
CID 3860519

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide (CID 110758505) is 3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide is COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NC(C)C.
What is the InChIKey of 3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is PJXYSZXWZGURGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-7(2)14-18(15,16)12-9(4)11(13)8(3)6-10(12)17-5/h6-7,14H,1-5H3.
What are the key properties of 3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide?
3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 110758505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).