4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide

C12H17ClN2O2S — CID 113489821

IUPAC4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
SMILESCC(CC1CC1)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-8(6-9-2-3-9)15-12-7-10(18(14,16)17)4-5-11(12)13/h4-5,7-9,15H,2-3,6H2,1H3,(H2,14,16,17)
InChIKeyLKYLHOHIEWNOQF-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.59
Rot. Bonds5

About 4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide

4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide (PubChem CID 113489821) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
PubChem CID113489821
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
SMILESCC(CC1CC1)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-8(6-9-2-3-9)15-12-7-10(18(14,16)17)4-5-11(12)13/h4-5,7-9,15H,2-3,6H2,1H3,(H2,14,16,17)
InChIKeyLKYLHOHIEWNOQF-UHFFFAOYSA-N
XLogP2.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide (CID 113489821) is 4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide is CC(CC1CC1)Nc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide?
The InChIKey is LKYLHOHIEWNOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-8(6-9-2-3-9)15-12-7-10(18(14,16)17)4-5-11(12)13/h4-5,7-9,15H,2-3,6H2,1H3,(H2,14,16,17).
What are the key properties of 4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide?
4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 113489821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).