N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide

C11H13BrN4O2S2 — CID 106049811

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCc2ccc(Br)s2)cn1
InChIInChI=1S/C11H13BrN4O2S2/c1-13-11-14-6-9(7-15-11)20(17,18)16-5-4-8-2-3-10(12)19-8/h2-3,6-7,16H,4-5H2,1H3,(H,13,14,15)
InChIKeyCBBICECRESUCRR-UHFFFAOYSA-N
MW377.29 g/mol
LogP1.86
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide

N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 106049811) has the molecular formula C11H13BrN4O2S2 and a molecular weight of 377.29 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID106049811
Molecular FormulaC11H13BrN4O2S2
Molecular Weight377.29 g/mol
Exact Mass375.97
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCc2ccc(Br)s2)cn1
InChIInChI=1S/C11H13BrN4O2S2/c1-13-11-14-6-9(7-15-11)20(17,18)16-5-4-8-2-3-10(12)19-8/h2-3,6-7,16H,4-5H2,1H3,(H,13,14,15)
InChIKeyCBBICECRESUCRR-UHFFFAOYSA-N
XLogP1.86
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide
CID 106049801
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106095235
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106035121
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide
CID 104868385
N-[2-(5-bromothiophen-2-yl)ethyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106044406
5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 103606955
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-chlorobenzenesulfonamide
CID 106035186
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 106049249
4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 106035151
N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide
CID 106044499
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106035146
N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157229

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide (CID 106049811) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)NCCc2ccc(Br)s2)cn1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is CBBICECRESUCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S2/c1-13-11-14-6-9(7-15-11)20(17,18)16-5-4-8-2-3-10(12)19-8/h2-3,6-7,16H,4-5H2,1H3,(H,13,14,15).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 377.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 106049811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).