4-bromo-2-carbamoyl-1-(sulfinoamino)benzene

C7H7BrN2O3S — CID 174718370

IUPAC4-bromo-2-carbamoyl-1-(sulfinoamino)benzene
SMILESNC(=O)c1cc(Br)ccc1NS(=O)O
InChIInChI=1S/C7H7BrN2O3S/c8-4-1-2-6(10-14(12)13)5(3-4)7(9)11/h1-3,10H,(H2,9,11)(H,12,13)
InChIKeyHIGVSADZEREHDT-UHFFFAOYSA-N
MW279.12 g/mol
LogP1.10
Rot. Bonds3

About 4-bromo-2-carbamoyl-1-(sulfinoamino)benzene

4-bromo-2-carbamoyl-1-(sulfinoamino)benzene (PubChem CID 174718370) has the molecular formula C7H7BrN2O3S and a molecular weight of 279.12 g/mol. Its IUPAC name is 4-bromo-2-carbamoyl-1-(sulfinoamino)benzene.

Molecular Properties

Compound Name4-bromo-2-carbamoyl-1-(sulfinoamino)benzene
PubChem CID174718370
Molecular FormulaC7H7BrN2O3S
Molecular Weight279.12 g/mol
Exact Mass277.94
IUPAC Name4-bromo-2-carbamoyl-1-(sulfinoamino)benzene
SMILESNC(=O)c1cc(Br)ccc1NS(=O)O
InChIInChI=1S/C7H7BrN2O3S/c8-4-1-2-6(10-14(12)13)5(3-4)7(9)11/h1-3,10H,(H2,9,11)(H,12,13)
InChIKeyHIGVSADZEREHDT-UHFFFAOYSA-N
XLogP1.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene
CID 57075836
5-bromo-2-carbamoylbenzenesulfinic acid
CID 129046862
5-bromo-2-[(2-chloroacetyl)amino]benzamide
CID 12031979
2-(3-aminopropylamino)-5-bromobenzamide
CID 114893923
N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide
CID 141087470
5-bromo-2-(butanoylamino)benzamide
CID 12989236
5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid
CID 114890010
7-(4-bromo-2-carbamoylanilino)heptanoic acid
CID 114889974
2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide
CID 114893954
3-(4-bromo-2-carbamoylanilino)benzoic acid
CID 114889981
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide
CID 176689257

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-carbamoyl-1-(sulfinoamino)benzene?
The IUPAC name of 4-bromo-2-carbamoyl-1-(sulfinoamino)benzene (CID 174718370) is 4-bromo-2-carbamoyl-1-(sulfinoamino)benzene.
What is the SMILES notation for 4-bromo-2-carbamoyl-1-(sulfinoamino)benzene?
The canonical SMILES for 4-bromo-2-carbamoyl-1-(sulfinoamino)benzene is NC(=O)c1cc(Br)ccc1NS(=O)O.
What is the InChIKey of 4-bromo-2-carbamoyl-1-(sulfinoamino)benzene?
The InChIKey is HIGVSADZEREHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3S/c8-4-1-2-6(10-14(12)13)5(3-4)7(9)11/h1-3,10H,(H2,9,11)(H,12,13).
What are the key properties of 4-bromo-2-carbamoyl-1-(sulfinoamino)benzene?
4-bromo-2-carbamoyl-1-(sulfinoamino)benzene has a molecular weight of 279.12 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-carbamoyl-1-(sulfinoamino)benzene is sourced from PubChem (CID 174718370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).