2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride

C12H10ClN3O4S — CID 102921722

IUPAC2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride
SMILESCOc1cc(NC(=O)c2cncnc2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C12H10ClN3O4S/c1-20-10-4-9(2-3-11(10)21(13,18)19)16-12(17)8-5-14-7-15-6-8/h2-7H,1H3,(H,16,17)
InChIKeySAVIKIRRTRPNJP-UHFFFAOYSA-N
MW327.75 g/mol
LogP1.66
Rot. Bonds4

About 2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride

2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride (PubChem CID 102921722) has the molecular formula C12H10ClN3O4S and a molecular weight of 327.75 g/mol. Its IUPAC name is 2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride
PubChem CID102921722
Molecular FormulaC12H10ClN3O4S
Molecular Weight327.75 g/mol
Exact Mass327.01
IUPAC Name2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride
SMILESCOc1cc(NC(=O)c2cncnc2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C12H10ClN3O4S/c1-20-10-4-9(2-3-11(10)21(13,18)19)16-12(17)8-5-14-7-15-6-8/h2-7H,1H3,(H,16,17)
InChIKeySAVIKIRRTRPNJP-UHFFFAOYSA-N
XLogP1.66
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride
CID 104785745
2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43093324
N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide
CID 102922040
3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107587350
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63084251
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 20910382
5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide
CID 9106525
N-[3-methoxy-4-(phenylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 45110912
N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224281
N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235722

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride (CID 102921722) is 2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride is COc1cc(NC(=O)c2cncnc2)ccc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride?
The InChIKey is SAVIKIRRTRPNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4S/c1-20-10-4-9(2-3-11(10)21(13,18)19)16-12(17)8-5-14-7-15-6-8/h2-7H,1H3,(H,16,17).
What are the key properties of 2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride?
2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride has a molecular weight of 327.75 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(pyrimidine-5-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 102921722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).