N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide

C19H16N2O3S2 — CID 22110909

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccco1)Cc1nc2ccccc2s1
InChIInChI=1S/C19H16N2O3S2/c22-26(23,16-8-2-1-3-9-16)21(13-15-7-6-12-24-15)14-19-20-17-10-4-5-11-18(17)25-19/h1-12H,13-14H2
InChIKeyDSNXCLNXZLQIOH-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.28
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide

N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 22110909) has the molecular formula C19H16N2O3S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID22110909
Molecular FormulaC19H16N2O3S2
Molecular Weight384.48 g/mol
Exact Mass384.06
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccco1)Cc1nc2ccccc2s1
InChIInChI=1S/C19H16N2O3S2/c22-26(23,16-8-2-1-3-9-16)21(13-15-7-6-12-24-15)14-19-20-17-10-4-5-11-18(17)25-19/h1-12H,13-14H2
InChIKeyDSNXCLNXZLQIOH-UHFFFAOYSA-N
XLogP4.28
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 112761133
N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 9189850
2-[2-chloro-4-(furan-2-yl)butyl]-1,3-benzothiazole
CID 66458933
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N,N-bis(1,3-benzothiazol-2-ylmethyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 177476330
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084748
4-(1,3-benzothiazol-2-yl)-N,N-bis(2-cyanoethyl)benzenesulfonamide
CID 2316500
5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide
CID 78821884

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide (CID 22110909) is N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccco1)Cc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is DSNXCLNXZLQIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S2/c22-26(23,16-8-2-1-3-9-16)21(13-15-7-6-12-24-15)14-19-20-17-10-4-5-11-18(17)25-19/h1-12H,13-14H2.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 22110909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).