3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide

C14H19ClN2O4S — CID 134349706

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide
SMILESCC(NS(=O)(=O)c1ccccc1Cl)C(O)C(=O)NCC1CC1
InChIInChI=1S/C14H19ClN2O4S/c1-9(13(18)14(19)16-8-10-6-7-10)17-22(20,21)12-5-3-2-4-11(12)15/h2-5,9-10,13,17-18H,6-8H2,1H3,(H,16,19)
InChIKeyDVMOBPGLHBIGSX-UHFFFAOYSA-N
MW346.84 g/mol
LogP0.89
Rot. Bonds7

About 3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide

3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide (PubChem CID 134349706) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide
PubChem CID134349706
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide
SMILESCC(NS(=O)(=O)c1ccccc1Cl)C(O)C(=O)NCC1CC1
InChIInChI=1S/C14H19ClN2O4S/c1-9(13(18)14(19)16-8-10-6-7-10)17-22(20,21)12-5-3-2-4-11(12)15/h2-5,9-10,13,17-18H,6-8H2,1H3,(H,16,19)
InChIKeyDVMOBPGLHBIGSX-UHFFFAOYSA-N
XLogP0.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide
CID 134349587
3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide
CID 134349887
N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide
CID 134349733
2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide
CID 56783962
methyl 4-[[[4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
CID 68786677
4-[[[(2R,3R)-4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 25003957
2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66004603
N-(cyclopropylmethyl)-3-(N-formylanilino)-2-hydroxybutanamide
CID 134349732
(2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94027230
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
(2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347969
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030014

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide (CID 134349706) is 3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide is CC(NS(=O)(=O)c1ccccc1Cl)C(O)C(=O)NCC1CC1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide?
The InChIKey is DVMOBPGLHBIGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-9(13(18)14(19)16-8-10-6-7-10)17-22(20,21)12-5-3-2-4-11(12)15/h2-5,9-10,13,17-18H,6-8H2,1H3,(H,16,19).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide has a molecular weight of 346.84 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide is sourced from PubChem (CID 134349706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).