N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide

C11H17ClN2O2S — CID 65192522

IUPACN-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide
SMILESCC(C)C(CN)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-8(2)11(7-13)14-17(15,16)10-5-3-4-9(12)6-10/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeyBAPQJMFBKFFCTA-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.60
Rot. Bonds5

About N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide

N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide (PubChem CID 65192522) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide
PubChem CID65192522
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide
SMILESCC(C)C(CN)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-8(2)11(7-13)14-17(15,16)10-5-3-4-9(12)6-10/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeyBAPQJMFBKFFCTA-UHFFFAOYSA-N
XLogP1.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide
CID 81259771
N-(1-amino-3-methylbutan-2-yl)-4-chloro-3-nitrobenzenesulfonamide
CID 65192675
3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide
CID 83180571
N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
CID 43297970
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
3-chlorobenzenesulfonohydrazide
CID 12924057
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047904
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 134690739
1-chloro-3-(1-chloroethylsulfonyl)benzene
CID 173357719

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide (CID 65192522) is N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide is CC(C)C(CN)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide?
The InChIKey is BAPQJMFBKFFCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-8(2)11(7-13)14-17(15,16)10-5-3-4-9(12)6-10/h3-6,8,11,14H,7,13H2,1-2H3.
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide?
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 65192522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).