3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide

C13H21ClN2O2S — CID 43274192

IUPAC3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1cc(N)c(C)c(Cl)c1
InChIInChI=1S/C13H21ClN2O2S/c1-5-9(3)16(6-2)19(17,18)11-7-12(14)10(4)13(15)8-11/h7-9H,5-6,15H2,1-4H3
InChIKeyBCYFQWNLARYSKR-UHFFFAOYSA-N
MW304.84 g/mol
LogP3.04
Rot. Bonds5

About 3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide

3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide (PubChem CID 43274192) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide
PubChem CID43274192
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1cc(N)c(C)c(Cl)c1
InChIInChI=1S/C13H21ClN2O2S/c1-5-9(3)16(6-2)19(17,18)11-7-12(14)10(4)13(15)8-11/h7-9H,5-6,15H2,1-4H3
InChIKeyBCYFQWNLARYSKR-UHFFFAOYSA-N
XLogP3.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 53.04
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

6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide
CID 64607575
3-amino-5-chloro-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61139914
3-amino-4-bromo-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 113288288
3-amino-5-chloro-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112529
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113120
3-amino-5-chloro-N-(cyclopropylmethyl)-N,4-dimethylbenzenesulfonamide
CID 54904750
4-amino-N-butan-2-yl-N-ethyl-3-methoxybenzenesulfonamide
CID 81438339
3-amino-N-butyl-5-chloro-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61113158
3-amino-N-[(5-bromofuran-2-yl)methyl]-5-chloro-N,4-dimethylbenzenesulfonamide
CID 61115068
3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266875
3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879071
3-amino-4,5-dimethyl-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116631

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide (CID 43274192) is 3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide is CCC(C)N(CC)S(=O)(=O)c1cc(N)c(C)c(Cl)c1.
What is the InChIKey of 3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide?
The InChIKey is BCYFQWNLARYSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-5-9(3)16(6-2)19(17,18)11-7-12(14)10(4)13(15)8-11/h7-9H,5-6,15H2,1-4H3.
What are the key properties of 3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide?
3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide has a molecular weight of 304.84 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-5-chloro-N-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 43274192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).