5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide

C19H16ClN5O2S3 — CID 4963502

IUPAC5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(Sc1nnnn1-c1ccccc1)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C19H16ClN5O2S3/c20-17-11-12-18(29-17)30(26,27)21-13-16(14-7-3-1-4-8-14)28-19-22-23-24-25(19)15-9-5-2-6-10-15/h1-12,16,21H,13H2
InChIKeyIRVZWVZQZFZMQF-UHFFFAOYSA-N
MW478.02 g/mol
LogP4.19
Rot. Bonds8

About 5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide

5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide (PubChem CID 4963502) has the molecular formula C19H16ClN5O2S3 and a molecular weight of 478.02 g/mol. Its IUPAC name is 5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide
PubChem CID4963502
Molecular FormulaC19H16ClN5O2S3
Molecular Weight478.02 g/mol
Exact Mass477.02
IUPAC Name5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(Sc1nnnn1-c1ccccc1)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C19H16ClN5O2S3/c20-17-11-12-18(29-17)30(26,27)21-13-16(14-7-3-1-4-8-14)28-19-22-23-24-25(19)15-9-5-2-6-10-15/h1-12,16,21H,13H2
InChIKeyIRVZWVZQZFZMQF-UHFFFAOYSA-N
XLogP4.19
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.02
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide (CID 4963502) is 5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide is O=S(=O)(NCC(Sc1nnnn1-c1ccccc1)c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide?
The InChIKey is IRVZWVZQZFZMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2S3/c20-17-11-12-18(29-17)30(26,27)21-13-16(14-7-3-1-4-8-14)28-19-22-23-24-25(19)15-9-5-2-6-10-15/h1-12,16,21H,13H2.
What are the key properties of 5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide has a molecular weight of 478.02 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4963502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).