3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide

C15H23ClN2O2S — CID 61113120

IUPAC3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)N(CCC(C)C)C2CC2)cc1Cl
InChIInChI=1S/C15H23ClN2O2S/c1-10(2)6-7-18(12-4-5-12)21(19,20)13-8-14(16)11(3)15(17)9-13/h8-10,12H,4-7,17H2,1-3H3
InChIKeyDDAAFFQODMCKQN-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.43
Rot. Bonds6

About 3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide

3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 61113120) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID61113120
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)N(CCC(C)C)C2CC2)cc1Cl
InChIInChI=1S/C15H23ClN2O2S/c1-10(2)6-7-18(12-4-5-12)21(19,20)13-8-14(16)11(3)15(17)9-13/h8-10,12H,4-7,17H2,1-3H3
InChIKeyDDAAFFQODMCKQN-UHFFFAOYSA-N
XLogP3.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.43
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

Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-
CID 80806
3-amino-N-(3-chlorophenyl)-4-methylbenzene-1-sulfonamide
CID 4982585
Benzenesulfonic acid, 3-amino-5-chloro-4-ethyl-
CID 105973
3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide
CID 28526074
3-amino-5-chloro-N-(2-fluorophenyl)-4-methylbenzenesulfonamide
CID 28556890
3-amino-5-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 28938080
3-amino-5-chloro-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 28968697
3-amino-5-chloro-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 28970046
3-amino-5-chloro-N-(2,6-difluorophenyl)-4-methylbenzenesulfonamide
CID 28974201
3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 29051345
3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide
CID 29053591
3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
CID 29053717

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 61113120) is 3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)N(CCC(C)C)C2CC2)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is DDAAFFQODMCKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-10(2)6-7-18(12-4-5-12)21(19,20)13-8-14(16)11(3)15(17)9-13/h8-10,12H,4-7,17H2,1-3H3.
What are the key properties of 3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide?
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 61113120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).