4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide

C13H12Cl2N2O4S — CID 78884546

IUPAC4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1
InChIInChI=1S/C13H12Cl2N2O4S/c1-2-21-8-3-5-9(6-4-8)22(19,20)17-13(18)11-7-10(14)12(15)16-11/h3-7,16H,2H2,1H3,(H,17,18)
InChIKeyUVMBYKRACYYXPP-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.84
Rot. Bonds5

About 4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 78884546) has the molecular formula C13H12Cl2N2O4S and a molecular weight of 363.22 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide
PubChem CID78884546
Molecular FormulaC13H12Cl2N2O4S
Molecular Weight363.22 g/mol
Exact Mass361.99
IUPAC Name4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1
InChIInChI=1S/C13H12Cl2N2O4S/c1-2-21-8-3-5-9(6-4-8)22(19,20)17-13(18)11-7-10(14)12(15)16-11/h3-7,16H,2H2,1H3,(H,17,18)
InChIKeyUVMBYKRACYYXPP-UHFFFAOYSA-N
XLogP2.84
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide
CID 78895773
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
3-(3,4-dichlorophenyl)-N-[4-(4-ethoxyphenoxy)phenyl]sulfonylbenzamide
CID 53473572
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
CID 52636492
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide
CID 51109848
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935293
2-chloro-5-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9480366
6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid
CID 71857210
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide (CID 78884546) is 4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide is CCOc1ccc(S(=O)(=O)NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1.
What is the InChIKey of 4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is UVMBYKRACYYXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O4S/c1-2-21-8-3-5-9(6-4-8)22(19,20)17-13(18)11-7-10(14)12(15)16-11/h3-7,16H,2H2,1H3,(H,17,18).
What are the key properties of 4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 363.22 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 78884546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).