1-bromo-3-carbamoyl-5-(sulfinoamino)benzene

C7H7BrN2O3S — CID 174661318

IUPAC1-bromo-3-carbamoyl-5-(sulfinoamino)benzene
SMILESNC(=O)c1cc(Br)cc(NS(=O)O)c1
InChIInChI=1S/C7H7BrN2O3S/c8-5-1-4(7(9)11)2-6(3-5)10-14(12)13/h1-3,10H,(H2,9,11)(H,12,13)
InChIKeyWTEOQCQPSIYTQZ-UHFFFAOYSA-N
MW279.12 g/mol
LogP1.10
Rot. Bonds3

About 1-bromo-3-carbamoyl-5-(sulfinoamino)benzene

1-bromo-3-carbamoyl-5-(sulfinoamino)benzene (PubChem CID 174661318) has the molecular formula C7H7BrN2O3S and a molecular weight of 279.12 g/mol. Its IUPAC name is 1-bromo-3-carbamoyl-5-(sulfinoamino)benzene.

Molecular Properties

Compound Name1-bromo-3-carbamoyl-5-(sulfinoamino)benzene
PubChem CID174661318
Molecular FormulaC7H7BrN2O3S
Molecular Weight279.12 g/mol
Exact Mass277.94
IUPAC Name1-bromo-3-carbamoyl-5-(sulfinoamino)benzene
SMILESNC(=O)c1cc(Br)cc(NS(=O)O)c1
InChIInChI=1S/C7H7BrN2O3S/c8-5-1-4(7(9)11)2-6(3-5)10-14(12)13/h1-3,10H,(H2,9,11)(H,12,13)
InChIKeyWTEOQCQPSIYTQZ-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

3-bromo-5-chlorobenzamide
CID 53417471
4-bromo-2-carbamoyl-1-(sulfinoamino)benzene
CID 174718370
3-bromo-5-hydrazinylbenzoic acid;hydrochloride
CID 90375905
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
3-bromo-5-methylbenzamide;3-bromo-5-methylbenzoic acid
CID 159591173
3-(methanesulfinamido)benzamide
CID 169217991
3-(carbamoylsulfinylamino)benzamide
CID 141122058
1,3-bis(3-bromo-5-carbamimidoylphenyl)urea;hydrochloride
CID 44522050
5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide
CID 113218225
3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid
CID 107971617
3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine
CID 158546164
3-bromo-5-(1-methylsulfinylpropan-2-ylamino)benzoic acid
CID 102823384

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-carbamoyl-5-(sulfinoamino)benzene?
The IUPAC name of 1-bromo-3-carbamoyl-5-(sulfinoamino)benzene (CID 174661318) is 1-bromo-3-carbamoyl-5-(sulfinoamino)benzene.
What is the SMILES notation for 1-bromo-3-carbamoyl-5-(sulfinoamino)benzene?
The canonical SMILES for 1-bromo-3-carbamoyl-5-(sulfinoamino)benzene is NC(=O)c1cc(Br)cc(NS(=O)O)c1.
What is the InChIKey of 1-bromo-3-carbamoyl-5-(sulfinoamino)benzene?
The InChIKey is WTEOQCQPSIYTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3S/c8-5-1-4(7(9)11)2-6(3-5)10-14(12)13/h1-3,10H,(H2,9,11)(H,12,13).
What are the key properties of 1-bromo-3-carbamoyl-5-(sulfinoamino)benzene?
1-bromo-3-carbamoyl-5-(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 1-bromo-3-carbamoyl-5-(sulfinoamino)benzene is sourced from PubChem (CID 174661318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).