N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide

C12H18ClNO3S — CID 110757953

IUPACN-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC(C)(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO3S/c1-8-6-10(17-5)9(13)7-11(8)18(15,16)14-12(2,3)4/h6-7,14H,1-5H3
InChIKeyZVPRTPVCLVKYJZ-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.73
Rot. Bonds3

About N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide

N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 110757953) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide
PubChem CID110757953
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC NameN-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC(C)(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO3S/c1-8-6-10(17-5)9(13)7-11(8)18(15,16)14-12(2,3)4/h6-7,14H,1-5H3
InChIKeyZVPRTPVCLVKYJZ-UHFFFAOYSA-N
XLogP2.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
CID 120717636
N-(3-aminobutyl)-5-chloro-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 120708555
4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47304384
5-chloro-4-methoxy-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707594
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110757932
5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide
CID 7333036
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 171699229
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 1256461
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
(2S,3R)-3-[(5-chloro-4-methoxy-2-methylphenyl)sulfonylamino]oxolane-2-carboxylic acid
CID 166242169
3-[(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-methylamino]propanoic acid
CID 120606496
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide (CID 110757953) is N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NC(C)(C)C)cc1Cl.
What is the InChIKey of N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is ZVPRTPVCLVKYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-8-6-10(17-5)9(13)7-11(8)18(15,16)14-12(2,3)4/h6-7,14H,1-5H3.
What are the key properties of N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide?
N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 110757953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).