4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide

C15H14ClN5O3S2 — CID 154836612

IUPAC4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide
SMILESCn1ncc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)n1
InChIInChI=1S/C15H14ClN5O3S2/c1-21-18-9-12(19-21)8-17-15(22)10-2-4-11(5-3-10)20-26(23,24)14-7-6-13(16)25-14/h2-7,9,20H,8H2,1H3,(H,17,22)
InChIKeySJBXJLLOVSZQSK-UHFFFAOYSA-N
MW411.90 g/mol
LogP2.26
Rot. Bonds6

About 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide

4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide (PubChem CID 154836612) has the molecular formula C15H14ClN5O3S2 and a molecular weight of 411.90 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide
PubChem CID154836612
Molecular FormulaC15H14ClN5O3S2
Molecular Weight411.90 g/mol
Exact Mass411.02
IUPAC Name4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide
SMILESCn1ncc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)n1
InChIInChI=1S/C15H14ClN5O3S2/c1-21-18-9-12(19-21)8-17-15(22)10-2-4-11(5-3-10)20-26(23,24)14-7-6-13(16)25-14/h2-7,9,20H,8H2,1H3,(H,17,22)
InChIKeySJBXJLLOVSZQSK-UHFFFAOYSA-N
XLogP2.26
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.90
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide
CID 46389231
4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 154837176
4-(benzenesulfonamido)-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 32831454
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53120059
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2475991
N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772945
4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid
CID 146124933
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
CID 46388198
methyl 4-[[[2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]oxyacetyl]amino]methyl]benzoate
CID 25042935
5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 166202253
N-[[5-(phenylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823706

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide (CID 154836612) is 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide is Cn1ncc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)n1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide?
The InChIKey is SJBXJLLOVSZQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O3S2/c1-21-18-9-12(19-21)8-17-15(22)10-2-4-11(5-3-10)20-26(23,24)14-7-6-13(16)25-14/h2-7,9,20H,8H2,1H3,(H,17,22).
What are the key properties of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide?
4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide has a molecular weight of 411.90 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 154836612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).