N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide

C12H11BrN2O3S2 — CID 8616801

IUPACN'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C12H11BrN2O3S2/c1-8-2-4-9(5-3-8)12(16)14-15-20(17,18)11-7-6-10(13)19-11/h2-7,15H,1H3,(H,14,16)
InChIKeyOLCAPZXGVNLNQA-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.44
Rot. Bonds4

About N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide

N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide (PubChem CID 8616801) has the molecular formula C12H11BrN2O3S2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide
PubChem CID8616801
Molecular FormulaC12H11BrN2O3S2
Molecular Weight375.27 g/mol
Exact Mass373.94
IUPAC NameN'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C12H11BrN2O3S2/c1-8-2-4-9(5-3-8)12(16)14-15-20(17,18)11-7-6-10(13)19-11/h2-7,15H,1H3,(H,14,16)
InChIKeyOLCAPZXGVNLNQA-UHFFFAOYSA-N
XLogP2.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
[(5-bromothiophen-2-yl)sulfonylamino]thiourea
CID 65214417
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505825
4-bromo-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 26951559
N'-(5-bromothiophen-2-yl)sulfonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 26968592
N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616766
N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504948
4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide
CID 26951527
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698
methyl 3-[(5-bromothiophen-2-yl)sulfonylamino]-4-methylbenzoate
CID 1006764
5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
CID 38005000

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide?
The IUPAC name of N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide (CID 8616801) is N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide.
What is the SMILES notation for N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide?
The canonical SMILES for N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide is Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide?
The InChIKey is OLCAPZXGVNLNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S2/c1-8-2-4-9(5-3-8)12(16)14-15-20(17,18)11-7-6-10(13)19-11/h2-7,15H,1H3,(H,14,16).
What are the key properties of N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide?
N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide has a molecular weight of 375.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide is sourced from PubChem (CID 8616801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).