2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide

C12H14ClN3O3S2 — CID 61040679

IUPAC2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESCOCCN(Cc1cccs1)S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C12H14ClN3O3S2/c1-19-5-4-16(9-10-3-2-6-20-10)21(17,18)11-7-14-12(13)15-8-11/h2-3,6-8H,4-5,9H2,1H3
InChIKeyXBCPUXXTGYMLOK-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.03
Rot. Bonds7

About 2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide

2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 61040679) has the molecular formula C12H14ClN3O3S2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID61040679
Molecular FormulaC12H14ClN3O3S2
Molecular Weight347.85 g/mol
Exact Mass347.02
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESCOCCN(Cc1cccs1)S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C12H14ClN3O3S2/c1-19-5-4-16(9-10-3-2-6-20-10)21(17,18)11-7-14-12(13)15-8-11/h2-3,6-8H,4-5,9H2,1H3
InChIKeyXBCPUXXTGYMLOK-UHFFFAOYSA-N
XLogP2.03
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Methoxyethyl)[(2-propylpyrimidin-5-yl)methyl](2-thienylmethyl)amine
CID 50981235
2-Amino-N-[(thiophen-2-YL)methyl]pyrimidine-5-sulfonamide
CID 46360879
2-Methyl-5-(thiophen-2-ylmethylsulfonyl)pyrimidin-4-amine
CID 2820313
2-((1-((5-Ethylthiophen-2-yl)sulfonyl)piperidin-3-yl)oxy)-5-fluoropyrimidine
CID 122258646
5-Fluoro-2-((1-((5-methylthiophen-2-yl)sulfonyl)piperidin-3-yl)oxy)pyrimidine
CID 122258647
5-(Thiophen-2-ylmethylsulfonyl)pyrimidine-2,4-diamine
CID 2820312
5-bromo-2-chloro-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 60124278
N-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 4779486
2-{[(2-Methylthiopyrimidin-5-yl)methyl](2-thienylmethyl)amino}ethan-1-ol
CID 25915357
2-{[(2-Methoxypyrimidin-5-yl)methyl](2-thienylmethyl)amino}ethan-1-ol
CID 25915359
N,N-dimethyl-5-[(pyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide
CID 40104016
5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 43155722

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide (CID 61040679) is 2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide is COCCN(Cc1cccs1)S(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is XBCPUXXTGYMLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S2/c1-19-5-4-16(9-10-3-2-6-20-10)21(17,18)11-7-14-12(13)15-8-11/h2-3,6-8H,4-5,9H2,1H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide?
2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 347.85 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 61040679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).