N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide

C11H17BrN2O3S — CID 119975780

IUPACN-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C)(C)CN)ccc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-11(2,7-13)14-18(15,16)8-4-5-9(12)10(6-8)17-3/h4-6,14H,7,13H2,1-3H3
InChIKeyAROVKUOUMGEUOG-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.47
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide

N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide (PubChem CID 119975780) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide
PubChem CID119975780
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C)(C)CN)ccc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-11(2,7-13)14-18(15,16)8-4-5-9(12)10(6-8)17-3/h4-6,14H,7,13H2,1-3H3
InChIKeyAROVKUOUMGEUOG-UHFFFAOYSA-N
XLogP1.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779
N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975663
N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 63194359
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975578
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81438341
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 119975574
3-[(4-bromo-3-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071466
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 82345223
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119986999
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide (CID 119975780) is N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NC(C)(C)CN)ccc1Br.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide?
The InChIKey is AROVKUOUMGEUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-11(2,7-13)14-18(15,16)8-4-5-9(12)10(6-8)17-3/h4-6,14H,7,13H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.47, 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)-4-bromo-3-methoxybenzenesulfonamide is sourced from PubChem (CID 119975780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).