4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide

C14H16ClN3O3S3 — CID 134061909

IUPAC4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cs1
InChIInChI=1S/C14H16ClN3O3S3/c15-12-2-1-11(23-12)8-17-3-5-18(6-4-17)14(19)10-7-13(22-9-10)24(16,20)21/h1-2,7,9H,3-6,8H2,(H2,16,20,21)
InChIKeyUIHAJWJTCINNQL-UHFFFAOYSA-N
MW405.95 g/mol
LogP2.07
Rot. Bonds4

About 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide

4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide (PubChem CID 134061909) has the molecular formula C14H16ClN3O3S3 and a molecular weight of 405.95 g/mol. Its IUPAC name is 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide
PubChem CID134061909
Molecular FormulaC14H16ClN3O3S3
Molecular Weight405.95 g/mol
Exact Mass405.00
IUPAC Name4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cs1
InChIInChI=1S/C14H16ClN3O3S3/c15-12-2-1-11(23-12)8-17-3-5-18(6-4-17)14(19)10-7-13(22-9-10)24(16,20)21/h1-2,7,9H,3-6,8H2,(H2,16,20,21)
InChIKeyUIHAJWJTCINNQL-UHFFFAOYSA-N
XLogP2.07
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide
CID 39191268
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 60641592
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-iodophenyl)methanone
CID 27841614
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 27841360
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 56817002
ethyl 4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 11748243
5-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 55595841
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone
CID 27841539
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 62491432
(2R)-2-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 79013048
3-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64684882

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide (CID 134061909) is 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide is NS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cs1.
What is the InChIKey of 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide?
The InChIKey is UIHAJWJTCINNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S3/c15-12-2-1-11(23-12)8-17-3-5-18(6-4-17)14(19)10-7-13(22-9-10)24(16,20)21/h1-2,7,9H,3-6,8H2,(H2,16,20,21).
What are the key properties of 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide?
4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide has a molecular weight of 405.95 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide is sourced from PubChem (CID 134061909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).