4-bromo-2-butylthiophene-3-sulfonamide

C8H12BrNO2S2 — CID 174304091

IUPAC4-bromo-2-butylthiophene-3-sulfonamide
SMILESCCCCc1scc(Br)c1S(N)(=O)=O
InChIInChI=1S/C8H12BrNO2S2/c1-2-3-4-7-8(14(10,11)12)6(9)5-13-7/h5H,2-4H2,1H3,(H2,10,11,12)
InChIKeyKVDJZIZMPLPEQU-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.50
Rot. Bonds4

About 4-bromo-2-butylthiophene-3-sulfonamide

4-bromo-2-butylthiophene-3-sulfonamide (PubChem CID 174304091) has the molecular formula C8H12BrNO2S2 and a molecular weight of 298.23 g/mol. Its IUPAC name is 4-bromo-2-butylthiophene-3-sulfonamide.

Molecular Properties

Compound Name4-bromo-2-butylthiophene-3-sulfonamide
PubChem CID174304091
Molecular FormulaC8H12BrNO2S2
Molecular Weight298.23 g/mol
Exact Mass296.95
IUPAC Name4-bromo-2-butylthiophene-3-sulfonamide
SMILESCCCCc1scc(Br)c1S(N)(=O)=O
InChIInChI=1S/C8H12BrNO2S2/c1-2-3-4-7-8(14(10,11)12)6(9)5-13-7/h5H,2-4H2,1H3,(H2,10,11,12)
InChIKeyKVDJZIZMPLPEQU-UHFFFAOYSA-N
XLogP2.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-6-nonylthieno[3,2-b]thiophene 4,4-dioxide
CID 44254993
1-(4-Bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide
CID 102846191
(4-Bromo-2-methylthiophen-3-yl)sulfonylazanium
CID 20617421
4-Bromo-2-methylthiophene-3-sulfonamide
CID 20617422
4-Bromo-2-methylthiophene-3-sulfonic acid
CID 151573505
5-(4-Bromobutyl)thiophene-3-sulfonamide;ethane
CID 164925967
5-(4-Bromobutyl)thiophene-3-sulfonamide
CID 164925968
13,14-Dibromo-3lambda6,10lambda6,15-trithiabicyclo[10.2.1]pentadeca-1(14),12-diene 3,3,10,10-tetraoxide
CID 10576682
15,16-Dibromo-3lambda6,12lambda6,17-trithiabicyclo[12.2.1]heptadeca-1(16),14-diene 3,3,12,12-tetraoxide
CID 10577564
17,18-Dibromo-3lambda6,14lambda6,19-trithiabicyclo[14.2.1]nonadeca-1(18),16-diene 3,3,14,14-tetraoxide
CID 10744900
16,17-Dibromo-3lambda6,13lambda6,18-trithiabicyclo[13.2.1]octadeca-1(17),15-diene 3,3,13,13-tetraoxide
CID 10839739
19,20-Dibromo-3lambda6,16lambda6,21-trithiabicyclo[16.2.1]henicosa-1(20),18-diene 3,3,16,16-tetraoxide
CID 11801056

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butylthiophene-3-sulfonamide?
The IUPAC name of 4-bromo-2-butylthiophene-3-sulfonamide (CID 174304091) is 4-bromo-2-butylthiophene-3-sulfonamide.
What is the SMILES notation for 4-bromo-2-butylthiophene-3-sulfonamide?
The canonical SMILES for 4-bromo-2-butylthiophene-3-sulfonamide is CCCCc1scc(Br)c1S(N)(=O)=O.
What is the InChIKey of 4-bromo-2-butylthiophene-3-sulfonamide?
The InChIKey is KVDJZIZMPLPEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO2S2/c1-2-3-4-7-8(14(10,11)12)6(9)5-13-7/h5H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 4-bromo-2-butylthiophene-3-sulfonamide?
4-bromo-2-butylthiophene-3-sulfonamide has a molecular weight of 298.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butylthiophene-3-sulfonamide is sourced from PubChem (CID 174304091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).