N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide

C11H17ClN2O2S — CID 58821622

IUPACN-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide
SMILESCC(C)[C@@H](CNS(=O)(=O)c1ccccc1)NCl
InChIInChI=1S/C11H17ClN2O2S/c1-9(2)11(14-12)8-13-17(15,16)10-6-4-3-5-7-10/h3-7,9,11,13-14H,8H2,1-2H3/t11-/m1/s1
InChIKeyBQNXQBGWBIZWBU-LLVKDONJSA-N
MW276.79 g/mol
LogP1.73
Rot. Bonds6

About N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide

N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide (PubChem CID 58821622) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide
PubChem CID58821622
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC NameN-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide
SMILESCC(C)[C@@H](CNS(=O)(=O)c1ccccc1)NCl
InChIInChI=1S/C11H17ClN2O2S/c1-9(2)11(14-12)8-13-17(15,16)10-6-4-3-5-7-10/h3-7,9,11,13-14H,8H2,1-2H3/t11-/m1/s1
InChIKeyBQNXQBGWBIZWBU-LLVKDONJSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
N-[2-(aminomethoxy)propyl]benzenesulfonamide
CID 172608370
N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide
CID 69331280
N-(2-methylheptyl)benzenesulfonamide
CID 143260336
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768
N-[(2S)-2-benzyl-3-methylbutyl]-4-methylsulfonylbenzenesulfonamide
CID 124728851
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 110314900
N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
CID 110403541

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide?
The IUPAC name of N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide (CID 58821622) is N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide is CC(C)[C@@H](CNS(=O)(=O)c1ccccc1)NCl.
What is the InChIKey of N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide?
The InChIKey is BQNXQBGWBIZWBU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-9(2)11(14-12)8-13-17(15,16)10-6-4-3-5-7-10/h3-7,9,11,13-14H,8H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide?
N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide is sourced from PubChem (CID 58821622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).