2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide

C13H19ClN2O2S — CID 61111608

IUPAC2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O2S/c1-9(2)8-16(11-4-5-11)19(17,18)13-7-10(14)3-6-12(13)15/h3,6-7,9,11H,4-5,8,15H2,1-2H3
InChIKeyOUNBCRUQNDLGEN-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.73
Rot. Bonds5

About 2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide

2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 61111608) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID61111608
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O2S/c1-9(2)8-16(11-4-5-11)19(17,18)13-7-10(14)3-6-12(13)15/h3,6-7,9,11H,4-5,8,15H2,1-2H3
InChIKeyOUNBCRUQNDLGEN-UHFFFAOYSA-N
XLogP2.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.73
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-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 106491500
2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859200
4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82844706
2-amino-5-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61112354
2-[(2-amino-5-chlorophenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108815
2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113994
4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61113304
3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 114379068
4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61110862
N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79187802
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 80646267
2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61115685

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide (CID 61111608) is 2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is OUNBCRUQNDLGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9(2)8-16(11-4-5-11)19(17,18)13-7-10(14)3-6-12(13)15/h3,6-7,9,11H,4-5,8,15H2,1-2H3.
What are the key properties of 2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide?
2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.73, 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-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 61111608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).