2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide

C12H19ClN2O2S — CID 61113994

IUPAC2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O2S/c1-9(2)6-7-15(3)18(16,17)12-8-10(13)4-5-11(12)14/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeySUXMEKSKNQZAJQ-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.59
Rot. Bonds5

About 2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide

2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 61113994) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID61113994
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O2S/c1-9(2)6-7-15(3)18(16,17)12-8-10(13)4-5-11(12)14/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeySUXMEKSKNQZAJQ-UHFFFAOYSA-N
XLogP2.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114749
2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61111608
3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114369
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 60986465
2-amino-5-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzenesulfonamide
CID 63225760
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114748
5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 65020963
2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61115685
3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide
CID 103052137
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114947133
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 62686438

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 61113994) is 2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCN(C)S(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is SUXMEKSKNQZAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-9(2)6-7-15(3)18(16,17)12-8-10(13)4-5-11(12)14/h4-5,8-9H,6-7,14H2,1-3H3.
What are the key properties of 2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 61113994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).