N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide

C11H11BrN2O3S2 — CID 61458011

IUPACN-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2sccc2Br)ccc1N
InChIInChI=1S/C11H11BrN2O3S2/c1-17-10-6-7(2-3-9(10)13)14-19(15,16)11-8(12)4-5-18-11/h2-6,14H,13H2,1H3
InChIKeyZYTDHQMPBOTXIK-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.90
Rot. Bonds4

About N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide

N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide (PubChem CID 61458011) has the molecular formula C11H11BrN2O3S2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide
PubChem CID61458011
Molecular FormulaC11H11BrN2O3S2
Molecular Weight363.26 g/mol
Exact Mass361.94
IUPAC NameN-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2sccc2Br)ccc1N
InChIInChI=1S/C11H11BrN2O3S2/c1-17-10-6-7(2-3-9(10)13)14-19(15,16)11-8(12)4-5-18-11/h2-6,14H,13H2,1H3
InChIKeyZYTDHQMPBOTXIK-UHFFFAOYSA-N
XLogP2.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
N-(4-amino-3-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824835
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063289
3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460
3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 61061972
3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide
CID 61062315
3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61063464
3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 61063599
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604994

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide (CID 61458011) is N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide is COc1cc(NS(=O)(=O)c2sccc2Br)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide?
The InChIKey is ZYTDHQMPBOTXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3S2/c1-17-10-6-7(2-3-9(10)13)14-19(15,16)11-8(12)4-5-18-11/h2-6,14H,13H2,1H3.
What are the key properties of N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide?
N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide has a molecular weight of 363.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide is sourced from PubChem (CID 61458011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).