3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide

C12H18ClNO4S — CID 79255139

IUPAC3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CO)C(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO4S/c1-8(2)11(7-15)14-19(16,17)9-4-5-12(18-3)10(13)6-9/h4-6,8,11,14-15H,7H2,1-3H3
InChIKeyAHQMFWVHNXZLMV-UHFFFAOYSA-N
MW307.80 g/mol
LogP1.64
Rot. Bonds6

About 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide

3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 79255139) has the molecular formula C12H18ClNO4S and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID79255139
Molecular FormulaC12H18ClNO4S
Molecular Weight307.80 g/mol
Exact Mass307.06
IUPAC Name3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CO)C(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO4S/c1-8(2)11(7-15)14-19(16,17)9-4-5-12(18-3)10(13)6-9/h4-6,8,11,14-15H,7H2,1-3H3
InChIKeyAHQMFWVHNXZLMV-UHFFFAOYSA-N
XLogP1.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 21078673
3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 103861133
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 7354928
N-[(1S)-1-(4-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560375
2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254471
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
CID 79255723
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 81438617
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 92675602
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877
3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 97030655

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide (CID 79255139) is 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(CO)C(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is AHQMFWVHNXZLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO4S/c1-8(2)11(7-15)14-19(16,17)9-4-5-12(18-3)10(13)6-9/h4-6,8,11,14-15H,7H2,1-3H3.
What are the key properties of 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 307.80 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 79255139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).