4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

C14H15ClN2O4S — CID 119048587

IUPAC4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H15ClN2O4S/c15-11-7-13(16-9-11)14(19)17-8-10-1-3-12(4-2-10)22(20,21)6-5-18/h1-4,7,9,16,18H,5-6,8H2,(H,17,19)
InChIKeyPHPUORXHDARETC-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.36
Rot. Bonds6

About 4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 119048587) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is 4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID119048587
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H15ClN2O4S/c15-11-7-13(16-9-11)14(19)17-8-10-1-3-12(4-2-10)22(20,21)6-5-18/h1-4,7,9,16,18H,5-6,8H2,(H,17,19)
InChIKeyPHPUORXHDARETC-UHFFFAOYSA-N
XLogP1.36
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide
CID 119048571
N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
CID 119048599
4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 43642870
4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 115598815
4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 18104585
4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 87020258
1-[2-(3,5-difluorophenyl)ethyl]-3-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]urea
CID 119047130
(3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide
CID 124850886
4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
CID 47469164
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 34967132
4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 80717603

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 119048587) is 4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is PHPUORXHDARETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c15-11-7-13(16-9-11)14(19)17-8-10-1-3-12(4-2-10)22(20,21)6-5-18/h1-4,7,9,16,18H,5-6,8H2,(H,17,19).
What are the key properties of 4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 342.80 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119048587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).