N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide

C11H17ClN2O3S — CID 82345223

IUPACN-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)CN
InChIInChI=1S/C11H17ClN2O3S/c1-11(2,7-13)14-18(15,16)10-6-8(12)4-5-9(10)17-3/h4-6,14H,7,13H2,1-3H3
InChIKeyMAUNSYFCZLIPMN-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.36
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide

N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide (PubChem CID 82345223) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
PubChem CID82345223
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)CN
InChIInChI=1S/C11H17ClN2O3S/c1-11(2,7-13)14-18(15,16)10-6-8(12)4-5-9(10)17-3/h4-6,14H,7,13H2,1-3H3
InChIKeyMAUNSYFCZLIPMN-UHFFFAOYSA-N
XLogP1.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710993
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide
CID 63194541
CID 70601990
CID 70601990
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119975810
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120713181
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
2-(5-chloro-2-methoxyphenyl)sulfonylpropan-2-amine
CID 117036237
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710742
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120710741

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide (CID 82345223) is N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)CN.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide?
The InChIKey is MAUNSYFCZLIPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-11(2,7-13)14-18(15,16)10-6-8(12)4-5-9(10)17-3/h4-6,14H,7,13H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 82345223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).