N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide

C11H10BrClN2O2S2 — CID 80577855

IUPACN-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C11H10BrClN2O2S2/c12-11-9(13)5-10(18-11)19(16,17)15-8-3-1-2-7(4-8)6-14/h1-5,15H,6,14H2
InChIKeyMRUOBBPAMCTIDR-UHFFFAOYSA-N
MW381.70 g/mol
LogP3.42
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide

N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide (PubChem CID 80577855) has the molecular formula C11H10BrClN2O2S2 and a molecular weight of 381.70 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide
PubChem CID80577855
Molecular FormulaC11H10BrClN2O2S2
Molecular Weight381.70 g/mol
Exact Mass379.91
IUPAC NameN-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C11H10BrClN2O2S2/c12-11-9(13)5-10(18-11)19(16,17)15-8-3-1-2-7(4-8)6-14/h1-5,15H,6,14H2
InChIKeyMRUOBBPAMCTIDR-UHFFFAOYSA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-[3-[(dimethylamino)methyl]phenyl]thiophene-2-sulfonamide
CID 80578453
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 81090482
N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide
CID 63254778
5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 80578749
5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
CID 80578716
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
5-bromo-4-chloro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 80577321
N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
CID 63254732
4,5-dibromo-N-(3-chlorophenyl)thiophene-2-sulfonamide
CID 3830186
5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
CID 80577849
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
CID 63254135

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide (CID 80577855) is N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide is NCc1cccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide?
The InChIKey is MRUOBBPAMCTIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2S2/c12-11-9(13)5-10(18-11)19(16,17)15-8-3-1-2-7(4-8)6-14/h1-5,15H,6,14H2.
What are the key properties of N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide?
N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide has a molecular weight of 381.70 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 80577855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).