2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide

C14H14BrN3O3S — CID 70995575

IUPAC2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)N=c2cc(Br)ccn2CC(N)=O)cc1
InChIInChI=1S/C14H14BrN3O3S/c1-10-2-4-12(5-3-10)22(20,21)17-14-8-11(15)6-7-18(14)9-13(16)19/h2-8H,9H2,1H3,(H2,16,19)
InChIKeyMKJYQNFOBWXZQI-UHFFFAOYSA-N
MW384.26 g/mol
LogP1.33
Rot. Bonds4

About 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide

2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide (PubChem CID 70995575) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide
PubChem CID70995575
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)N=c2cc(Br)ccn2CC(N)=O)cc1
InChIInChI=1S/C14H14BrN3O3S/c1-10-2-4-12(5-3-10)22(20,21)17-14-8-11(15)6-7-18(14)9-13(16)19/h2-8H,9H2,1H3,(H2,16,19)
InChIKeyMKJYQNFOBWXZQI-UHFFFAOYSA-N
XLogP1.33
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromoacetamide;2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]acetamide;6-chloropyridazin-3-amine
CID 162161701
methyl 2-[(2Z)-6-bromo-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 16937248
2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide
CID 155074154
ethyl 2-[5,6-dimethyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 40891752
4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide
CID 131887487
ethyl 2-[(2Z)-6-methyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 16937257
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
carbamic acid;4-methylbenzenesulfonic acid
CID 172730422
ethyl 2-[(2Z)-6-bromo-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 16937893
methyl 2-[6-methyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 40849553
[(4-bromoanilino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 10832810
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide?
The IUPAC name of 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide (CID 70995575) is 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide?
The canonical SMILES for 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide is Cc1ccc(S(=O)(=O)N=c2cc(Br)ccn2CC(N)=O)cc1.
What is the InChIKey of 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide?
The InChIKey is MKJYQNFOBWXZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c1-10-2-4-12(5-3-10)22(20,21)17-14-8-11(15)6-7-18(14)9-13(16)19/h2-8H,9H2,1H3,(H2,16,19).
What are the key properties of 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide?
2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide has a molecular weight of 384.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide is sourced from PubChem (CID 70995575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).