N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide

C11H12BrNO3S2 — CID 146135715

IUPACN-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide
SMILESO=C(NS(=O)(=O)c1cc(Br)cs1)C1CC2(CC2)C1
InChIInChI=1S/C11H12BrNO3S2/c12-8-3-9(17-6-8)18(15,16)13-10(14)7-4-11(5-7)1-2-11/h3,6-7H,1-2,4-5H2,(H,13,14)
InChIKeyIKXLARBUTPIXCE-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.51
Rot. Bonds3

About N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide

N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide (PubChem CID 146135715) has the molecular formula C11H12BrNO3S2 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide
PubChem CID146135715
Molecular FormulaC11H12BrNO3S2
Molecular Weight350.26 g/mol
Exact Mass348.94
IUPAC NameN-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide
SMILESO=C(NS(=O)(=O)c1cc(Br)cs1)C1CC2(CC2)C1
InChIInChI=1S/C11H12BrNO3S2/c12-8-3-9(17-6-8)18(15,16)13-10(14)7-4-11(5-7)1-2-11/h3,6-7H,1-2,4-5H2,(H,13,14)
InChIKeyIKXLARBUTPIXCE-UHFFFAOYSA-N
XLogP2.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide
CID 130559335
1-(4-bromothiophen-2-yl)sulfonyl-3-[6-[(4-bromothiophen-2-yl)sulfonylcarbamoylamino]hexyl]urea
CID 24968650
4-bromothiophene-2-sulfonohydrazide
CID 82299785
1-(4-bromothiophen-2-yl)sulfonylcyclobutane-1-carboxylic acid
CID 116855385
4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide
CID 110678469
5-[4-(spiro[2.3]hexane-5-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 154742803
4-bromothiophene-2-sulfonyl fluoride
CID 82294546
1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine
CID 115275624
(3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone
CID 116917728
trans-(1R,2R)-N-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-methylcyclopropane-1-carboxamide
CID 97030426
N-[2-(4-bromophenyl)propyl]-2-thiaspiro[3.3]heptane-6-carboxamide
CID 138024894
N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
CID 47250199

Frequently Asked Questions

What is the IUPAC name of N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide?
The IUPAC name of N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide (CID 146135715) is N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide.
What is the SMILES notation for N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide?
The canonical SMILES for N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide is O=C(NS(=O)(=O)c1cc(Br)cs1)C1CC2(CC2)C1.
What is the InChIKey of N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide?
The InChIKey is IKXLARBUTPIXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3S2/c12-8-3-9(17-6-8)18(15,16)13-10(14)7-4-11(5-7)1-2-11/h3,6-7H,1-2,4-5H2,(H,13,14).
What are the key properties of N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide?
N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide is sourced from PubChem (CID 146135715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).