N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide

C14H14ClNO3S — CID 80685966

IUPACN-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C14H14ClNO3S/c15-13-7-6-12(10-14(13)17)16-20(18,19)9-8-11-4-2-1-3-5-11/h1-7,10,16-17H,8-9H2
InChIKeyWOTMVSAKSMFXAI-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.03
Rot. Bonds5

About N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide

N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide (PubChem CID 80685966) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide
PubChem CID80685966
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C14H14ClNO3S/c15-13-7-6-12(10-14(13)17)16-20(18,19)9-8-11-4-2-1-3-5-11/h1-7,10,16-17H,8-9H2
InChIKeyWOTMVSAKSMFXAI-UHFFFAOYSA-N
XLogP3.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80686183
N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 64786737
N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
CID 112987053
N-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
CID 39395711
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
2-chloro-5-(methylsulfamoylamino)phenol
CID 114809188
N-[6-(2-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018483
N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide
CID 110724401
N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)-2-phenylethanesulfonamide
CID 50839837
2-phenyl-N-thiophen-3-ylethanesulfonamide
CID 71991634
N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide (CID 80685966) is N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1ccc(Cl)c(O)c1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide?
The InChIKey is WOTMVSAKSMFXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c15-13-7-6-12(10-14(13)17)16-20(18,19)9-8-11-4-2-1-3-5-11/h1-7,10,16-17H,8-9H2.
What are the key properties of N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide?
N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 80685966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).