3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C13H19ClN2O2S — CID 63879071

IUPAC3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)N(C)CC2CC2C)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-8-4-10(8)7-16(3)19(17,18)11-5-12(14)9(2)13(15)6-11/h5-6,8,10H,4,7,15H2,1-3H3
InChIKeyVVLYCVAIQXFCLL-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.51
Rot. Bonds4

About 3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 63879071) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID63879071
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)N(C)CC2CC2C)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-8-4-10(8)7-16(3)19(17,18)11-5-12(14)9(2)13(15)6-11/h5-6,8,10H,4,7,15H2,1-3H3
InChIKeyVVLYCVAIQXFCLL-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 63879071) is 3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)N(C)CC2CC2C)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is VVLYCVAIQXFCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-8-4-10(8)7-16(3)19(17,18)11-5-12(14)9(2)13(15)6-11/h5-6,8,10H,4,7,15H2,1-3H3.
What are the key properties of 3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.51, 4 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,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63879071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).