2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide

C12H11Cl2N3O3S — CID 61040955

IUPAC2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1Cl
InChIInChI=1S/C12H11Cl2N3O3S/c1-2-20-11-4-3-8(5-10(11)13)17-21(18,19)9-6-15-12(14)16-7-9/h3-7,17H,2H2,1H3
InChIKeySJZCZEKOCTVLPB-UHFFFAOYSA-N
MW348.21 g/mol
LogP2.98
Rot. Bonds5

About 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide

2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide (PubChem CID 61040955) has the molecular formula C12H11Cl2N3O3S and a molecular weight of 348.21 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
PubChem CID61040955
Molecular FormulaC12H11Cl2N3O3S
Molecular Weight348.21 g/mol
Exact Mass346.99
IUPAC Name2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1Cl
InChIInChI=1S/C12H11Cl2N3O3S/c1-2-20-11-4-3-8(5-10(11)13)17-21(18,19)9-6-15-12(14)16-7-9/h3-7,17H,2H2,1H3
InChIKeySJZCZEKOCTVLPB-UHFFFAOYSA-N
XLogP2.98
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153
6-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-sulfonamide
CID 115588666
2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide
CID 61125908
3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide
CID 8851611
5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
CID 80577849
N-(1,3-benzodioxol-5-yl)-3-chloro-4-ethoxybenzenesulfonamide
CID 6491906
2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid
CID 60934471
5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 24502195
2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
CID 61053173

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide (CID 61040955) is 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide?
The InChIKey is SJZCZEKOCTVLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O3S/c1-2-20-11-4-3-8(5-10(11)13)17-21(18,19)9-6-15-12(14)16-7-9/h3-7,17H,2H2,1H3.
What are the key properties of 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide?
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide has a molecular weight of 348.21 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 61040955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).