4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide

C14H18N2O4S3 — CID 10317299

IUPAC4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide
SMILESCC(C)NCc1cccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C14H18N2O4S3/c1-10(2)16-8-11-4-3-5-12(6-11)22(17,18)13-7-14(21-9-13)23(15,19)20/h3-7,9-10,16H,8H2,1-2H3,(H2,15,19,20)
InChIKeyYZGNQQGKNDGUQL-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.73
Rot. Bonds6

About 4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide

4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide (PubChem CID 10317299) has the molecular formula C14H18N2O4S3 and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide
PubChem CID10317299
Molecular FormulaC14H18N2O4S3
Molecular Weight374.51 g/mol
Exact Mass374.04
IUPAC Name4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide
SMILESCC(C)NCc1cccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C14H18N2O4S3/c1-10(2)16-8-11-4-3-5-12(6-11)22(17,18)13-7-14(21-9-13)23(15,19)20/h3-7,9-10,16H,8H2,1-2H3,(H2,15,19,20)
InChIKeyYZGNQQGKNDGUQL-UHFFFAOYSA-N
XLogP1.73
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide?
The IUPAC name of 4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide (CID 10317299) is 4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide?
The canonical SMILES for 4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide is CC(C)NCc1cccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide?
The InChIKey is YZGNQQGKNDGUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S3/c1-10(2)16-8-11-4-3-5-12(6-11)22(17,18)13-7-14(21-9-13)23(15,19)20/h3-7,9-10,16H,8H2,1-2H3,(H2,15,19,20).
What are the key properties of 4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide?
4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide has a molecular weight of 374.51 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 10317299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).