2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide

C10H11ClN2O3S — CID 103989875

IUPAC2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C10H11ClN2O3S/c1-7(6-14)13-17(15,16)10-3-2-8(5-12)4-9(10)11/h2-4,7,13-14H,6H2,1H3/t7-/m0/s1
InChIKeyDLGUHNPGYAQBIF-ZETCQYMHSA-N
MW274.73 g/mol
LogP0.87
Rot. Bonds4

About 2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide

2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide (PubChem CID 103989875) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
PubChem CID103989875
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C10H11ClN2O3S/c1-7(6-14)13-17(15,16)10-3-2-8(5-12)4-9(10)11/h2-4,7,13-14H,6H2,1H3/t7-/m0/s1
InChIKeyDLGUHNPGYAQBIF-ZETCQYMHSA-N
XLogP0.87
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-cyano-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 80704766
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 103988819
2-chloro-4-cyano-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 103989511
N-but-3-yn-2-yl-2-chloro-4-cyanobenzenesulfonamide
CID 114419165
2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
CID 103988900
2-chloro-5-cyano-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 80704020
3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 115755311
2-chloro-4-cyano-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 103990107
N-(1-chloropropan-2-yl)-5-cyano-2-methylbenzenesulfonamide
CID 106442039
2-chloro-4-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 103988889
2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868959
2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102697491

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide (CID 103989875) is 2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide is C[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1Cl.
What is the InChIKey of 2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
The InChIKey is DLGUHNPGYAQBIF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c1-7(6-14)13-17(15,16)10-3-2-8(5-12)4-9(10)11/h2-4,7,13-14H,6H2,1H3/t7-/m0/s1.
What are the key properties of 2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide has a molecular weight of 274.73 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 103989875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).