4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide

C10H11BrN2O2S3 — CID 54982582

IUPAC4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1csc(Br)c1)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C10H11BrN2O2S3/c1-13(4-7-2-9(11)16-5-7)18(14,15)10-3-8(12)6-17-10/h2-3,5-6H,4,12H2,1H3
InChIKeyNEFGCDPDEKBENV-UHFFFAOYSA-N
MW367.32 g/mol
LogP2.97
Rot. Bonds4

About 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide

4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 54982582) has the molecular formula C10H11BrN2O2S3 and a molecular weight of 367.32 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID54982582
Molecular FormulaC10H11BrN2O2S3
Molecular Weight367.32 g/mol
Exact Mass365.92
IUPAC Name4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1csc(Br)c1)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C10H11BrN2O2S3/c1-13(4-7-2-9(11)16-5-7)18(14,15)10-3-8(12)6-17-10/h2-3,5-6H,4,12H2,1H3
InChIKeyNEFGCDPDEKBENV-UHFFFAOYSA-N
XLogP2.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide
CID 79988961
4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61299784
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63944435
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,3,6-trimethylbenzenesulfonamide
CID 103171374
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 54987200
3-amino-2-bromo-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylbenzenesulfonamide
CID 62956908
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-methylsulfonylethanesulfonamide
CID 55174854
4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
CID 79850156
4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 61300540
4-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 61426476
4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzenesulfonamide
CID 107091417
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
CID 61301123

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide (CID 54982582) is 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide is CN(Cc1csc(Br)c1)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is NEFGCDPDEKBENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S3/c1-13(4-7-2-9(11)16-5-7)18(14,15)10-3-8(12)6-17-10/h2-3,5-6H,4,12H2,1H3.
What are the key properties of 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide?
4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 367.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 54982582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).